[2-[(6-methyl-1,3-benzothiazol-2-yl)amino]-2-oxidanylidene-ethyl] (E)-3-(2-ethoxyphenyl)prop-2-enoate

Systemtic Name: [2-[(6-methyl-1,3-benzothiazol-2-yl)amino]-2-oxidanylidene-ethyl] (E)-3-(2-ethoxyphenyl)prop-2-enoate Openeye Name: [2-[(6-methyl-1,3-benzothiazol-2-yl)amino]-2-oxo-ethyl] (E)-3-(2-ethoxyphenyl)prop-2-enoate CAS Name: (E)-3-(2-ethoxyphenyl)-2-propenoic acid [2-[(6-methyl-1,3-benzothiazol-2-yl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(6-methyl-1,3-benzothiazol-2-yl)amino]-2-oxoethyl] (E)-3-(2-ethoxyphenyl)prop-2-enoate Traditional Name: (E)-3-o-phenetylacrylic acid [2-keto-2-[(6-methyl-1,3-benzothiazol-2-yl)amino]ethyl] ester Formula: C21H20N2O4S MolecularWeight: 396.4595

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1C=CC(=O)OCC(=O)NC2=NC3=C(S2)C=C(C=C3)C

Isomeric SMILES

CCOC1=CC=CC=C1/C=C/C(=O)OCC(=O)NC2=NC3=C(S2)C=C(C=C3)C

InChI

InChI=1S/C21H20N2O4S/c1-3-26-17-7-5-4-6-15(17)9-11-20(25)27-13-19(24)23-21-22-16-10-8-14(2)12-18(16)28-21/h4-12H,3,13H2,1-2H3,(H,22,23,24)/b11-9+