propan-2-yl 2-[[(E)-3-(3,4-dichlorophenyl)prop-2-enoyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: propan-2-yl 2-[[(E)-3-(3,4-dichlorophenyl)prop-2-enoyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: isopropyl 2-[[(E)-3-(3,4-dichlorophenyl)prop-2-enoyl]amino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[(E)-3-(3,4-dichlorophenyl)-1-oxoprop-2-enyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 2-[[(E)-3-(3,4-dichlorophenyl)prop-2-enoyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[(E)-3-(3,4-dichlorophenyl)acryloyl]amino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid isopropyl ester Formula: C22H23Cl2NO3S MolecularWeight: 452.39392

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC(=C2C(=O)OC(C)C)NC(=O)C=CC3=CC(=C(C=C3)Cl)Cl

Isomeric SMILES

CC1CCC2=C(C1)SC(=C2C(=O)OC(C)C)NC(=O)/C=C/C3=CC(=C(C=C3)Cl)Cl

InChI

InChI=1S/C22H23Cl2NO3S/c1-12(2)28-22(27)20-15-7-4-13(3)10-18(15)29-21(20)25-19(26)9-6-14-5-8-16(23)17(24)11-14/h5-6,8-9,11-13H,4,7,10H2,1-3H3,(H,25,26)/b9-6+