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

Systemtic Name: [2-[(3-cyanothiophen-2-yl)amino]-2-oxidanylidene-ethyl] 3-(1,3-benzothiazol-2-ylsulfanyl)propanoate Openeye Name: [2-[(3-cyano-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-cyano-2-thiophenyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl] 3-(1,3-benzothiazol-2-ylsulfanyl)propanoate Traditional Name: 3-(1,3-benzothiazol-2-ylthio)propionic acid [2-[(3-cyano-2-thienyl)amino]-2-keto-ethyl] ester Formula: C17H13N3O3S3 MolecularWeight: 403.49842

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H13N3O3S3/c18-9-11-5-7-24-16(11)20-14(21)10-23-15(22)6-8-25-17-19-12-3-1-2-4-13(12)26-17/h1-5,7H,6,8,10H2,(H,20,21)