propan-2-yl 2-[(3-propoxyphenyl)carbonylamino]-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophene-3-carboxylate

Systemtic Name: propan-2-yl 2-[(3-propoxyphenyl)carbonylamino]-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophene-3-carboxylate Openeye Name: isopropyl 2-[(3-propoxybenzoyl)amino]-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophene-3-carboxylate CAS Name: 2-[[oxo-(3-propoxyphenyl)methyl]amino]-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophene-3-carboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 2-[(3-propoxybenzoyl)amino]-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophene-3-carboxylate Traditional Name: 2-[(3-propoxybenzoyl)amino]-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophene-3-carboxylic acid isopropyl ester Formula: C28H39NO4S MolecularWeight: 485.67856

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=CC(=C1)C(=O)NC2=C(C3=C(S2)CCCCCCCCCC3)C(=O)OC(C)C

Isomeric SMILES

CCCOC1=CC=CC(=C1)C(=O)NC2=C(C3=C(S2)CCCCCCCCCC3)C(=O)OC(C)C

InChI

InChI=1S/C28H39NO4S/c1-4-18-32-22-15-13-14-21(19-22)26(30)29-27-25(28(31)33-20(2)3)23-16-11-9-7-5-6-8-10-12-17-24(23)34-27/h13-15,19-20H,4-12,16-18H2,1-3H3,(H,29,30)