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

Systemtic Name: methyl 2-[3-(furan-2-yl)prop-2-enoylcarbamothioylamino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate Openeye Name: methyl 2-[3-(2-furyl)prop-2-enoylcarbamothioylamino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate CAS Name: 2-[[[[3-(2-furanyl)-1-oxoprop-2-enyl]amino]-sulfanylidenemethyl]amino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[3-(furan-2-yl)prop-2-enoylcarbamothioylamino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate Traditional Name: 2-[[3-(2-furyl)acryloyl]thiocarbamoylamino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylic acid methyl ester Formula: C20H22N2O4S2 MolecularWeight: 418.52968

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC2=C1CCCCCC2)NC(=S)NC(=O)C=CC3=CC=CO3

Isomeric SMILES

COC(=O)C1=C(SC2=C1CCCCCC2)NC(=S)NC(=O)C=CC3=CC=CO3

InChI

InChI=1S/C20H22N2O4S2/c1-25-19(24)17-14-8-4-2-3-5-9-15(14)28-18(17)22-20(27)21-16(23)11-10-13-7-6-12-26-13/h6-7,10-12H,2-5,8-9H2,1H3,(H2,21,22,23,27)