(6R,7S)-3-(hydroxymethyl)-7-[[(Z)-2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-4-yl]pent-2-enoyl]amino]-8-oxidanylidene-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: (6R,7S)-3-(hydroxymethyl)-7-[[(Z)-2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-4-yl]pent-2-enoyl]amino]-8-oxidanylidene-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: (6R,7S)-7-[[(Z)-2-[2-(tert-butoxycarbonylamino)thiazol-4-yl]pent-2-enoyl]amino]-3-(hydroxymethyl)-8-oxo-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: (6R,7S)-3-(hydroxymethyl)-7-[[(Z)-2-[2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-4-thiazolyl]-1-oxopent-2-enyl]amino]-8-oxo-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: (6R,7S)-3-(hydroxymethyl)-7-[[(Z)-2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-4-yl]pent-2-enoyl]amino]-8-oxo-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: (6R,7S)-7-[[(Z)-2-[2-(tert-butoxycarbonylamino)thiazol-4-yl]pent-2-enoyl]amino]-8-keto-3-methylol-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C22H28N4O7S MolecularWeight: 492.54532

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Descriptors Computed from Structure

Canonical SMILES:

CCC=C(C1=CSC(=N1)NC(=O)OC(C)(C)C)C(=O)NC2C3CCC(=C(N3C2=O)C(=O)O)CO

Isomeric SMILES

CC/C=C(/C1=CSC(=N1)NC(=O)OC(C)(C)C)\C(=O)N[C@H]2[C@H]3CCC(=C(N3C2=O)C(=O)O)CO

InChI

InChI=1S/C22H28N4O7S/c1-5-6-12(13-10-34-20(23-13)25-21(32)33-22(2,3)4)17(28)24-15-14-8-7-11(9-27)16(19(30)31)26(14)18(15)29/h6,10,14-15,27H,5,7-9H2,1-4H3,(H,24,28)(H,30,31)(H,23,25,32)/b12-6-/t14-,15+/m1/s1