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

Systemtic Name: [2-[(4-methyl-1,3-benzothiazol-2-yl)-(phenylmethyl)amino]-2-oxidanylidene-ethyl] butanoate Openeye Name: [2-[benzyl-(4-methyl-1,3-benzothiazol-2-yl)amino]-2-oxo-ethyl] butanoate CAS Name: butanoic acid [2-[(4-methyl-1,3-benzothiazol-2-yl)-(phenylmethyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[benzyl-(4-methyl-1,3-benzothiazol-2-yl)amino]-2-oxoethyl] butanoate Traditional Name: butyric acid [2-[benzyl-(4-methyl-1,3-benzothiazol-2-yl)amino]-2-keto-ethyl] ester Formula: C21H22N2O3S MolecularWeight: 382.47598

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)OCC(=O)N(CC1=CC=CC=C1)C2=NC3=C(C=CC=C3S2)C

Isomeric SMILES

CCCC(=O)OCC(=O)N(CC1=CC=CC=C1)C2=NC3=C(C=CC=C3S2)C

InChI

InChI=1S/C21H22N2O3S/c1-3-8-19(25)26-14-18(24)23(13-16-10-5-4-6-11-16)21-22-20-15(2)9-7-12-17(20)27-21/h4-7,9-12H,3,8,13-14H2,1-2H3