[2-(8$l^{4}-thia-7,9-diazabicyclo[4.3.0]nona-1(6),2,4,7,8-pentaen-5-ylamino)-2-oxidanylidene-ethyl] 2-azanyl-4-chloranyl-benzoate

Systemtic Name: [2-(8$l^{4}-thia-7,9-diazabicyclo[4.3.0]nona-1(6),2,4,7,8-pentaen-5-ylamino)-2-oxidanylidene-ethyl] 2-azanyl-4-chloranyl-benzoate Openeye Name: [2-(8$l^{4}-thia-7,9-diazabicyclo[4.3.0]nona-1(6),2,4,7,8-pentaen-5-ylamino)-2-oxo-ethyl] 2-amino-4-chloro-benzoate CAS Name: 2-amino-4-chlorobenzoic acid [2-(8$l^{4}-thia-7,9-diazabicyclo[4.3.0]nona-1(6),2,4,7,8-pentaen-5-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(8$l^{4}-thia-7,9-diazabicyclo[4.3.0]nona-1(6),2,4,7,8-pentaen-5-ylamino)-2-oxoethyl] 2-amino-4-chlorobenzoate Traditional Name: 2-amino-4-chloro-benzoic acid [2-keto-2-(piazthiol-4-ylamino)ethyl] ester Formula: C15H11ClN4O3S MolecularWeight: 362.79084

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C1)NC(=O)COC(=O)C3=C(C=C(C=C3)Cl)N)N=S=N2

Isomeric SMILES

C1=CC2=C(C(=C1)NC(=O)COC(=O)C3=C(C=C(C=C3)Cl)N)N=S=N2

InChI

InChI=1S/C15H11ClN4O3S/c16-8-4-5-9(10(17)6-8)15(22)23-7-13(21)18-11-2-1-3-12-14(11)20-24-19-12/h1-6H,7,17H2,(H,18,21)