[2-[(diphenylmethyl)amino]-2-oxidanylidene-ethyl] 4-(1,3-benzothiazol-2-yl)butanoate

Systemtic Name: [2-[(diphenylmethyl)amino]-2-oxidanylidene-ethyl] 4-(1,3-benzothiazol-2-yl)butanoate Openeye Name: [2-(benzhydrylamino)-2-oxo-ethyl] 4-(1,3-benzothiazol-2-yl)butanoate CAS Name: 4-(1,3-benzothiazol-2-yl)butanoic acid [2-[(diphenylmethyl)amino]-2-oxoethyl] ester IUPAC Name: [2-(benzhydrylamino)-2-oxoethyl] 4-(1,3-benzothiazol-2-yl)butanoate Traditional Name: 4-(1,3-benzothiazol-2-yl)butyric acid [2-(benzhydrylamino)-2-keto-ethyl] ester Formula: C26H24N2O3S MolecularWeight: 444.54536

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C2=CC=CC=C2)NC(=O)COC(=O)CCCC3=NC4=CC=CC=C4S3

Isomeric SMILES

C1=CC=C(C=C1)C(C2=CC=CC=C2)NC(=O)COC(=O)CCCC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C26H24N2O3S/c29-23(28-26(19-10-3-1-4-11-19)20-12-5-2-6-13-20)18-31-25(30)17-9-16-24-27-21-14-7-8-15-22(21)32-24/h1-8,10-15,26H,9,16-18H2,(H,28,29)