[2-[(4,5-dimethyl-1,3-benzothiazol-2-yl)-(phenylmethyl)amino]-2-oxidanylidene-ethyl] cyclopropanecarboxylate

Systemtic Name: [2-[(4,5-dimethyl-1,3-benzothiazol-2-yl)-(phenylmethyl)amino]-2-oxidanylidene-ethyl] cyclopropanecarboxylate Openeye Name: [2-[benzyl-(4,5-dimethyl-1,3-benzothiazol-2-yl)amino]-2-oxo-ethyl] cyclopropanecarboxylate CAS Name: cyclopropanecarboxylic acid [2-[(4,5-dimethyl-1,3-benzothiazol-2-yl)-(phenylmethyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[benzyl-(4,5-dimethyl-1,3-benzothiazol-2-yl)amino]-2-oxoethyl] cyclopropanecarboxylate Traditional Name: cyclopropanecarboxylic acid [2-[benzyl-(4,5-dimethyl-1,3-benzothiazol-2-yl)amino]-2-keto-ethyl] ester Formula: C22H22N2O3S MolecularWeight: 394.48668

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)SC(=N2)N(CC3=CC=CC=C3)C(=O)COC(=O)C4CC4)C

Isomeric SMILES

CC1=C(C2=C(C=C1)SC(=N2)N(CC3=CC=CC=C3)C(=O)COC(=O)C4CC4)C

InChI

InChI=1S/C22H22N2O3S/c1-14-8-11-18-20(15(14)2)23-22(28-18)24(12-16-6-4-3-5-7-16)19(25)13-27-21(26)17-9-10-17/h3-8,11,17H,9-10,12-13H2,1-2H3