methyl 2-[3-(4-nitrophenyl)prop-2-enoylamino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate

Systemtic Name: methyl 2-[3-(4-nitrophenyl)prop-2-enoylamino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate Openeye Name: methyl 2-[3-(4-nitrophenyl)prop-2-enoylamino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate CAS Name: 2-[[3-(4-nitrophenyl)-1-oxoprop-2-enyl]amino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[3-(4-nitrophenyl)prop-2-enoylamino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate Traditional Name: 2-[[3-(4-nitrophenyl)acryloyl]amino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylic acid methyl ester Formula: C21H22N2O5S MolecularWeight: 414.47478

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC2=C1CCCCCC2)NC(=O)C=CC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=C(SC2=C1CCCCCC2)NC(=O)C=CC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H22N2O5S/c1-28-21(25)19-16-6-4-2-3-5-7-17(16)29-20(19)22-18(24)13-10-14-8-11-15(12-9-14)23(26)27/h8-13H,2-7H2,1H3,(H,22,24)