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

Systemtic Name: ethyl 2-[[(E)-3-(4-fluorophenyl)prop-2-enoyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate Openeye Name: ethyl 2-[[(E)-3-(4-fluorophenyl)prop-2-enoyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate CAS Name: 2-[[(E)-3-(4-fluorophenyl)-1-oxoprop-2-enyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[[(E)-3-(4-fluorophenyl)prop-2-enoyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate Traditional Name: 2-[[(E)-3-(4-fluorophenyl)acryloyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid ethyl ester Formula: C21H22FNO3S MolecularWeight: 387.467683

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCCCC2)NC(=O)C=CC3=CC=C(C=C3)F

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCCC2)NC(=O)/C=C/C3=CC=C(C=C3)F

InChI

InChI=1S/C21H22FNO3S/c1-2-26-21(25)19-16-6-4-3-5-7-17(16)27-20(19)23-18(24)13-10-14-8-11-15(22)12-9-14/h8-13H,2-7H2,1H3,(H,23,24)/b13-10+