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

Systemtic Name: [2-[(4-methyl-1,3-benzothiazol-2-yl)-(phenylmethyl)amino]-2-oxidanylidene-ethyl] (E)-but-2-enoate Openeye Name: [2-[benzyl-(4-methyl-1,3-benzothiazol-2-yl)amino]-2-oxo-ethyl] (E)-but-2-enoate CAS Name: (E)-2-butenoic 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] (E)-but-2-enoate Traditional Name: (E)-but-2-enoic acid [2-[benzyl-(4-methyl-1,3-benzothiazol-2-yl)amino]-2-keto-ethyl] ester Formula: C21H20N2O3S MolecularWeight: 380.4601

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20N2O3S/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/h3-12H,13-14H2,1-2H3/b8-3+