3-(acetyloxymethyl)-4-[2-[5-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]thiophen-2-yl]ethanoylamino]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: 3-(acetyloxymethyl)-4-[2-[5-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]thiophen-2-yl]ethanoylamino]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 3-(acetoxymethyl)-4-[[2-[5-[[tert-butoxycarbonyl(methyl)amino]methyl]-2-thienyl]acetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 3-(acetyloxymethyl)-4-[[2-[5-[[methyl-[(2-methylpropan-2-yl)oxy-oxomethyl]amino]methyl]-2-thiophenyl]-1-oxoethyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 3-(acetyloxymethyl)-4-[[2-[5-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]thiophen-2-yl]acetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 3-(acetoxymethyl)-4-[[2-[5-[[tert-butoxycarbonyl(methyl)amino]methyl]-2-thienyl]acetyl]amino]-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C23H29N3O8S2 MolecularWeight: 539.62166

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1=C(N2C(CC2=O)SC1NC(=O)CC3=CC=C(S3)CN(C)C(=O)OC(C)(C)C)C(=O)O

Isomeric SMILES

CC(=O)OCC1=C(N2C(CC2=O)SC1NC(=O)CC3=CC=C(S3)CN(C)C(=O)OC(C)(C)C)C(=O)O

InChI

InChI=1S/C23H29N3O8S2/c1-12(27)33-11-15-19(21(30)31)26-17(29)9-18(26)36-20(15)24-16(28)8-13-6-7-14(35-13)10-25(5)22(32)34-23(2,3)4/h6-7,18,20H,8-11H2,1-5H3,(H,24,28)(H,30,31)