[2-[(3-methoxyphenyl)methyl-methyl-amino]-2-oxidanylidene-ethyl] (E)-3-(1,3-benzothiazol-2-yl)prop-2-enoate

Systemtic Name: [2-[(3-methoxyphenyl)methyl-methyl-amino]-2-oxidanylidene-ethyl] (E)-3-(1,3-benzothiazol-2-yl)prop-2-enoate Openeye Name: [2-[(3-methoxyphenyl)methyl-methyl-amino]-2-oxo-ethyl] (E)-3-(1,3-benzothiazol-2-yl)prop-2-enoate CAS Name: (E)-3-(1,3-benzothiazol-2-yl)-2-propenoic acid [2-[(3-methoxyphenyl)methyl-methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(3-methoxyphenyl)methyl-methylamino]-2-oxoethyl] (E)-3-(1,3-benzothiazol-2-yl)prop-2-enoate Traditional Name: (E)-3-(1,3-benzothiazol-2-yl)acrylic acid [2-keto-2-[m-anisyl(methyl)amino]ethyl] ester Formula: C21H20N2O4S MolecularWeight: 396.4595

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC(=CC=C1)OC)C(=O)COC(=O)C=CC2=NC3=CC=CC=C3S2

Isomeric SMILES

CN(CC1=CC(=CC=C1)OC)C(=O)COC(=O)/C=C/C2=NC3=CC=CC=C3S2

InChI

InChI=1S/C21H20N2O4S/c1-23(13-15-6-5-7-16(12-15)26-2)20(24)14-27-21(25)11-10-19-22-17-8-3-4-9-18(17)28-19/h3-12H,13-14H2,1-2H3/b11-10+