[2-[(2-ethyl-6-methyl-phenyl)amino]-2-oxidanylidene-ethyl] (E)-3-(3-chloranyl-1-benzothiophen-2-yl)prop-2-enoate

Systemtic Name: [2-[(2-ethyl-6-methyl-phenyl)amino]-2-oxidanylidene-ethyl] (E)-3-(3-chloranyl-1-benzothiophen-2-yl)prop-2-enoate Openeye Name: [2-(2-ethyl-6-methyl-anilino)-2-oxo-ethyl] (E)-3-(3-chlorobenzothiophen-2-yl)prop-2-enoate CAS Name: (E)-3-(3-chloro-1-benzothiophen-2-yl)-2-propenoic acid [2-(2-ethyl-6-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-ethyl-6-methylanilino)-2-oxoethyl] (E)-3-(3-chloro-1-benzothiophen-2-yl)prop-2-enoate Traditional Name: (E)-3-(3-chlorobenzothiophen-2-yl)acrylic acid [2-(2-ethyl-6-methyl-anilino)-2-keto-ethyl] ester Formula: C22H20ClNO3S MolecularWeight: 413.9171

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=O)COC(=O)C=CC2=C(C3=CC=CC=C3S2)Cl)C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=O)COC(=O)/C=C/C2=C(C3=CC=CC=C3S2)Cl)C

InChI

InChI=1S/C22H20ClNO3S/c1-3-15-8-6-7-14(2)22(15)24-19(25)13-27-20(26)12-11-18-21(23)16-9-4-5-10-17(16)28-18/h4-12H,3,13H2,1-2H3,(H,24,25)/b12-11+