[2-[[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]amino]-2-oxidanylidene-ethyl] 2-cyano-3-(4-methoxyphenyl)prop-2-enoate

Systemtic Name: [2-[[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]amino]-2-oxidanylidene-ethyl] 2-cyano-3-(4-methoxyphenyl)prop-2-enoate Openeye Name: [2-[4-(6-methyl-1,3-benzothiazol-2-yl)anilino]-2-oxo-ethyl] 2-cyano-3-(4-methoxyphenyl)prop-2-enoate CAS Name: 2-cyano-3-(4-methoxyphenyl)-2-propenoic acid [2-[4-(6-methyl-1,3-benzothiazol-2-yl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[4-(6-methyl-1,3-benzothiazol-2-yl)anilino]-2-oxoethyl] 2-cyano-3-(4-methoxyphenyl)prop-2-enoate Traditional Name: 2-cyano-3-(4-methoxyphenyl)acrylic acid [2-keto-2-[4-(6-methyl-1,3-benzothiazol-2-yl)anilino]ethyl] ester Formula: C27H21N3O4S MolecularWeight: 483.53834

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)NC(=O)COC(=O)C(=CC4=CC=C(C=C4)OC)C#N

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)NC(=O)COC(=O)C(=CC4=CC=C(C=C4)OC)C#N

InChI

InChI=1S/C27H21N3O4S/c1-17-3-12-23-24(13-17)35-26(30-23)19-6-8-21(9-7-19)29-25(31)16-34-27(32)20(15-28)14-18-4-10-22(33-2)11-5-18/h3-14H,16H2,1-2H3,(H,29,31)