[1-[(4-acetamidophenyl)amino]-1-oxidanylidene-butan-2-yl] 2-(1,3-benzothiazol-2-yl)benzoate

Systemtic Name: [1-[(4-acetamidophenyl)amino]-1-oxidanylidene-butan-2-yl] 2-(1,3-benzothiazol-2-yl)benzoate Openeye Name: 1-[(4-acetamidophenyl)carbamoyl]propyl 2-(1,3-benzothiazol-2-yl)benzoate CAS Name: 2-(1,3-benzothiazol-2-yl)benzoic acid [1-(4-acetamidoanilino)-1-oxobutan-2-yl] ester IUPAC Name: [1-(4-acetamidoanilino)-1-oxobutan-2-yl] 2-(1,3-benzothiazol-2-yl)benzoate Traditional Name: 2-(1,3-benzothiazol-2-yl)benzoic acid 1-[(4-acetamidophenyl)carbamoyl]propyl ester Formula: C26H23N3O4S MolecularWeight: 473.54352

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=C(C=C1)NC(=O)C)OC(=O)C2=CC=CC=C2C3=NC4=CC=CC=C4S3

Isomeric SMILES

CCC(C(=O)NC1=CC=C(C=C1)NC(=O)C)OC(=O)C2=CC=CC=C2C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C26H23N3O4S/c1-3-22(24(31)28-18-14-12-17(13-15-18)27-16(2)30)33-26(32)20-9-5-4-8-19(20)25-29-21-10-6-7-11-23(21)34-25/h4-15,22H,3H2,1-2H3,(H,27,30)(H,28,31)