3-(acetyloxymethyl)-7-[2-[3-(aminomethyl)thiophen-2-yl]ethanoylamino]-7-methoxy-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: 3-(acetyloxymethyl)-7-[2-[3-(aminomethyl)thiophen-2-yl]ethanoylamino]-7-methoxy-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 3-(acetoxymethyl)-7-[[2-[3-(aminomethyl)-2-thienyl]acetyl]amino]-7-methoxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 3-(acetyloxymethyl)-7-[[2-[3-(aminomethyl)-2-thiophenyl]-1-oxoethyl]amino]-7-methoxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 3-(acetyloxymethyl)-7-[[2-[3-(aminomethyl)thiophen-2-yl]acetyl]amino]-7-methoxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 3-(acetoxymethyl)-7-[[2-[3-(aminomethyl)-2-thienyl]acetyl]amino]-8-keto-7-methoxy-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C18H21N3O7S2 MolecularWeight: 455.50524

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1=C(N2C(C(C2=O)(NC(=O)CC3=C(C=CS3)CN)OC)SC1)C(=O)O

Isomeric SMILES

CC(=O)OCC1=C(N2C(C(C2=O)(NC(=O)CC3=C(C=CS3)CN)OC)SC1)C(=O)O

InChI

InChI=1S/C18H21N3O7S2/c1-9(22)28-7-11-8-30-17-18(27-2,16(26)21(17)14(11)15(24)25)20-13(23)5-12-10(6-19)3-4-29-12/h3-4,17H,5-8,19H2,1-2H3,(H,20,23)(H,24,25)