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

Systemtic Name: [2-[(4-aminocarbonylphenyl)amino]-2-oxidanylidene-ethyl] 2-(1,3-benzothiazol-2-ylsulfanyl)ethanoate Openeye Name: [2-(4-carbamoylanilino)-2-oxo-ethyl] 2-(1,3-benzothiazol-2-ylsulfanyl)acetate CAS Name: 2-(1,3-benzothiazol-2-ylthio)acetic acid [2-(4-carbamoylanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-carbamoylanilino)-2-oxoethyl] 2-(1,3-benzothiazol-2-ylsulfanyl)acetate Traditional Name: 2-(1,3-benzothiazol-2-ylthio)acetic acid [2-(4-carbamoylanilino)-2-keto-ethyl] ester Formula: C18H15N3O4S2 MolecularWeight: 401.4594

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H15N3O4S2/c19-17(24)11-5-7-12(8-6-11)20-15(22)9-25-16(23)10-26-18-21-13-3-1-2-4-14(13)27-18/h1-8H,9-10H2,(H2,19,24)(H,20,22)