methyl 2-[3-(2-chlorophenyl)prop-2-enoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: methyl 2-[3-(2-chlorophenyl)prop-2-enoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 2-[3-(2-chlorophenyl)prop-2-enoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[3-(2-chlorophenyl)-1-oxoprop-2-enyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[3-(2-chlorophenyl)prop-2-enoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[3-(2-chlorophenyl)acryloyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C19H18ClNO3S MolecularWeight: 375.86912

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC2=C1CCCC2)NC(=O)C=CC3=CC=CC=C3Cl

Isomeric SMILES

COC(=O)C1=C(SC2=C1CCCC2)NC(=O)C=CC3=CC=CC=C3Cl

InChI

InChI=1S/C19H18ClNO3S/c1-24-19(23)17-13-7-3-5-9-15(13)25-18(17)21-16(22)11-10-12-6-2-4-8-14(12)20/h2,4,6,8,10-11H,3,5,7,9H2,1H3,(H,21,22)