[2-[(4-aminocarbonylphenyl)amino]-2-oxidanylidene-ethyl] 3-(1,3-benzothiazol-2-ylsulfanyl)propanoate

Systemtic Name: [2-[(4-aminocarbonylphenyl)amino]-2-oxidanylidene-ethyl] 3-(1,3-benzothiazol-2-ylsulfanyl)propanoate Openeye Name: [2-(4-carbamoylanilino)-2-oxo-ethyl] 3-(1,3-benzothiazol-2-ylsulfanyl)propanoate CAS Name: 3-(1,3-benzothiazol-2-ylthio)propanoic acid [2-(4-carbamoylanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-carbamoylanilino)-2-oxoethyl] 3-(1,3-benzothiazol-2-ylsulfanyl)propanoate Traditional Name: 3-(1,3-benzothiazol-2-ylthio)propionic acid [2-(4-carbamoylanilino)-2-keto-ethyl] ester Formula: C19H17N3O4S2 MolecularWeight: 415.48598

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)SCCC(=O)OCC(=O)NC3=CC=C(C=C3)C(=O)N

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)SCCC(=O)OCC(=O)NC3=CC=C(C=C3)C(=O)N

InChI

InChI=1S/C19H17N3O4S2/c20-18(25)12-5-7-13(8-6-12)21-16(23)11-26-17(24)9-10-27-19-22-14-3-1-2-4-15(14)28-19/h1-8H,9-11H2,(H2,20,25)(H,21,23)