[2-oxidanylidene-2-[2-(thiophen-2-ylmethylsulfanyl)ethylamino]ethyl] 3-azanyl-4-chloranyl-benzoate

Systemtic Name: [2-oxidanylidene-2-[2-(thiophen-2-ylmethylsulfanyl)ethylamino]ethyl] 3-azanyl-4-chloranyl-benzoate Openeye Name: [2-oxo-2-[2-(2-thienylmethylsulfanyl)ethylamino]ethyl] 3-amino-4-chloro-benzoate CAS Name: 3-amino-4-chlorobenzoic acid [2-oxo-2-[2-(thiophen-2-ylmethylthio)ethylamino]ethyl] ester IUPAC Name: [2-oxo-2-[2-(thiophen-2-ylmethylsulfanyl)ethylamino]ethyl] 3-amino-4-chlorobenzoate Traditional Name: 3-amino-4-chloro-benzoic acid [2-keto-2-[2-(2-thenylthio)ethylamino]ethyl] ester Formula: C16H17ClN2O3S2 MolecularWeight: 384.90078

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)CSCCNC(=O)COC(=O)C2=CC(=C(C=C2)Cl)N

Isomeric SMILES

C1=CSC(=C1)CSCCNC(=O)COC(=O)C2=CC(=C(C=C2)Cl)N

InChI

InChI=1S/C16H17ClN2O3S2/c17-13-4-3-11(8-14(13)18)16(21)22-9-15(20)19-5-7-23-10-12-2-1-6-24-12/h1-4,6,8H,5,7,9-10,18H2,(H,19,20)