ethyl 2-[[(E)-3-(4-propan-2-ylphenyl)prop-2-enoyl]amino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate

Systemtic Name: ethyl 2-[[(E)-3-(4-propan-2-ylphenyl)prop-2-enoyl]amino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate Openeye Name: ethyl 2-[[(E)-3-(4-isopropylphenyl)prop-2-enoyl]amino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate CAS Name: 2-[[(E)-1-oxo-3-(4-propan-2-ylphenyl)prop-2-enyl]amino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[[(E)-3-(4-propan-2-ylphenyl)prop-2-enoyl]amino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate Traditional Name: 2-[[(E)-3-p-cumenylacryloyl]amino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylic acid ethyl ester Formula: C25H31NO3S MolecularWeight: 425.58354

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCCCCC2)NC(=O)C=CC3=CC=C(C=C3)C(C)C

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCCCC2)NC(=O)/C=C/C3=CC=C(C=C3)C(C)C

InChI

InChI=1S/C25H31NO3S/c1-4-29-25(28)23-20-9-7-5-6-8-10-21(20)30-24(23)26-22(27)16-13-18-11-14-19(15-12-18)17(2)3/h11-17H,4-10H2,1-3H3,(H,26,27)/b16-13+