propan-2-yl 2-[[(E)-3-(3-chlorophenyl)prop-2-enoyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate

Systemtic Name: propan-2-yl 2-[[(E)-3-(3-chlorophenyl)prop-2-enoyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate Openeye Name: isopropyl 2-[[(E)-3-(3-chlorophenyl)prop-2-enoyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate CAS Name: 2-[[(E)-3-(3-chlorophenyl)-1-oxoprop-2-enyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 2-[[(E)-3-(3-chlorophenyl)prop-2-enoyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate Traditional Name: 2-[[(E)-3-(3-chlorophenyl)acryloyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid isopropyl ester Formula: C22H24ClNO3S MolecularWeight: 417.94886

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C1=C(SC2=C1CCCCC2)NC(=O)C=CC3=CC(=CC=C3)Cl

Isomeric SMILES

CC(C)OC(=O)C1=C(SC2=C1CCCCC2)NC(=O)/C=C/C3=CC(=CC=C3)Cl

InChI

InChI=1S/C22H24ClNO3S/c1-14(2)27-22(26)20-17-9-4-3-5-10-18(17)28-21(20)24-19(25)12-11-15-7-6-8-16(23)13-15/h6-8,11-14H,3-5,9-10H2,1-2H3,(H,24,25)/b12-11+