[2-(3,3-diphenylpropylamino)-2-oxidanylidene-ethyl] 1,3-benzothiazole-6-carboxylate

Systemtic Name: [2-(3,3-diphenylpropylamino)-2-oxidanylidene-ethyl] 1,3-benzothiazole-6-carboxylate Openeye Name: [2-(3,3-diphenylpropylamino)-2-oxo-ethyl] 1,3-benzothiazole-6-carboxylate CAS Name: 1,3-benzothiazole-6-carboxylic acid [2-(3,3-diphenylpropylamino)-2-oxoethyl] ester IUPAC Name: [2-(3,3-diphenylpropylamino)-2-oxoethyl] 1,3-benzothiazole-6-carboxylate Traditional Name: 1,3-benzothiazole-6-carboxylic acid [2-(3,3-diphenylpropylamino)-2-keto-ethyl] ester Formula: C25H22N2O3S MolecularWeight: 430.51878

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(CCNC(=O)COC(=O)C2=CC3=C(C=C2)N=CS3)C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)C(CCNC(=O)COC(=O)C2=CC3=C(C=C2)N=CS3)C4=CC=CC=C4

InChI

InChI=1S/C25H22N2O3S/c28-24(16-30-25(29)20-11-12-22-23(15-20)31-17-27-22)26-14-13-21(18-7-3-1-4-8-18)19-9-5-2-6-10-19/h1-12,15,17,21H,13-14,16H2,(H,26,28)