[2-[(3-aminocarbonylthiophen-2-yl)amino]-2-oxidanylidene-ethyl] 3-(1,3-benzothiazol-2-ylsulfanyl)propanoate

Systemtic Name: [2-[(3-aminocarbonylthiophen-2-yl)amino]-2-oxidanylidene-ethyl] 3-(1,3-benzothiazol-2-ylsulfanyl)propanoate Openeye Name: [2-[(3-carbamoyl-2-thienyl)amino]-2-oxo-ethyl] 3-(1,3-benzothiazol-2-ylsulfanyl)propanoate CAS Name: 3-(1,3-benzothiazol-2-ylthio)propanoic acid [2-[(3-carbamoyl-2-thiophenyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 3-(1,3-benzothiazol-2-ylsulfanyl)propanoate Traditional Name: 3-(1,3-benzothiazol-2-ylthio)propionic acid [2-[(3-carbamoyl-2-thienyl)amino]-2-keto-ethyl] ester Formula: C17H15N3O4S3 MolecularWeight: 421.5137

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)SCCC(=O)OCC(=O)NC3=C(C=CS3)C(=O)N

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)SCCC(=O)OCC(=O)NC3=C(C=CS3)C(=O)N

InChI

InChI=1S/C17H15N3O4S3/c18-15(23)10-5-7-25-16(10)20-13(21)9-24-14(22)6-8-26-17-19-11-3-1-2-4-12(11)27-17/h1-5,7H,6,8-9H2,(H2,18,23)(H,20,21)