methyl 2-[(3,4,5-triethoxyphenyl)carbonylamino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate

Systemtic Name: methyl 2-[(3,4,5-triethoxyphenyl)carbonylamino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate Openeye Name: methyl 2-[(3,4,5-triethoxybenzoyl)amino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate CAS Name: 2-[[oxo-(3,4,5-triethoxyphenyl)methyl]amino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[(3,4,5-triethoxybenzoyl)amino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate Traditional Name: 2-[(3,4,5-triethoxybenzoyl)amino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylic acid methyl ester Formula: C25H33NO6S MolecularWeight: 475.59762

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)NC2=C(C3=C(S2)CCCCCC3)C(=O)OC

Isomeric SMILES

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)NC2=C(C3=C(S2)CCCCCC3)C(=O)OC

InChI

InChI=1S/C25H33NO6S/c1-5-30-18-14-16(15-19(31-6-2)22(18)32-7-3)23(27)26-24-21(25(28)29-4)17-12-10-8-9-11-13-20(17)33-24/h14-15H,5-13H2,1-4H3,(H,26,27)