ethyl 3-[1,3-benzothiazol-5-yloxycarbonyl(phenyl)amino]-4-(4-cyanophenyl)sulfanyl-butanoate

Systemtic Name: ethyl 3-[1,3-benzothiazol-5-yloxycarbonyl(phenyl)amino]-4-(4-cyanophenyl)sulfanyl-butanoate Openeye Name: ethyl 3-[N-(1,3-benzothiazol-5-yloxycarbonyl)anilino]-4-(4-cyanophenyl)sulfanyl-butanoate CAS Name: 3-(N-[1,3-benzothiazol-5-yloxy(oxo)methyl]anilino)-4-[(4-cyanophenyl)thio]butanoic acid ethyl ester IUPAC Name: ethyl 3-[N-(1,3-benzothiazol-5-yloxycarbonyl)anilino]-4-(4-cyanophenyl)sulfanylbutanoate Traditional Name: 3-[N-(1,3-benzothiazol-5-yloxycarbonyl)anilino]-4-[(4-cyanophenyl)thio]butyric acid ethyl ester Formula: C27H23N3O4S2 MolecularWeight: 517.61922

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(CSC1=CC=C(C=C1)C#N)N(C2=CC=CC=C2)C(=O)OC3=CC4=C(C=C3)SC=N4

Isomeric SMILES

CCOC(=O)CC(CSC1=CC=C(C=C1)C#N)N(C2=CC=CC=C2)C(=O)OC3=CC4=C(C=C3)SC=N4

InChI

InChI=1S/C27H23N3O4S2/c1-2-33-26(31)14-21(17-35-23-11-8-19(16-28)9-12-23)30(20-6-4-3-5-7-20)27(32)34-22-10-13-25-24(15-22)29-18-36-25/h3-13,15,18,21H,2,14,17H2,1H3