3-(carbamimidoylsulfanylmethyl)-7-methoxy-8-oxidanylidene-7-(2-thiophen-2-ylethanoylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: 3-(carbamimidoylsulfanylmethyl)-7-methoxy-8-oxidanylidene-7-(2-thiophen-2-ylethanoylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 3-(carbamimidoylsulfanylmethyl)-7-methoxy-8-oxo-7-[[2-(2-thienyl)acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 3-[(carbamimidoylthio)methyl]-7-methoxy-8-oxo-7-[(1-oxo-2-thiophen-2-ylethyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 3-(carbamimidoylsulfanylmethyl)-7-methoxy-8-oxo-7-[(2-thiophen-2-ylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 3-[(amidinothio)methyl]-8-keto-7-methoxy-7-[[2-(2-thienyl)acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C16H18N4O5S3 MolecularWeight: 442.53292

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Descriptors Computed from Structure

Canonical SMILES:

COC1(C2N(C1=O)C(=C(CS2)CSC(=N)N)C(=O)O)NC(=O)CC3=CC=CS3

Isomeric SMILES

COC1(C2N(C1=O)C(=C(CS2)CSC(=N)N)C(=O)O)NC(=O)CC3=CC=CS3

InChI

InChI=1S/C16H18N4O5S3/c1-25-16(19-10(21)5-9-3-2-4-26-9)13(24)20-11(12(22)23)8(6-27-14(16)20)7-28-15(17)18/h2-4,14H,5-7H2,1H3,(H3,17,18)(H,19,21)(H,22,23)