methyl 2-[(5-phenyl-2,3-dihydro-1,4-oxathiin-6-yl)carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: methyl 2-[(5-phenyl-2,3-dihydro-1,4-oxathiin-6-yl)carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 2-[(5-phenyl-2,3-dihydro-1,4-oxathiine-6-carbonyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[oxo-(5-phenyl-2,3-dihydro-1,4-oxathiin-6-yl)methyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[(5-phenyl-2,3-dihydro-1,4-oxathiine-6-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[(5-phenyl-2,3-dihydro-1,4-oxathiin-6-carbonyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C21H21NO4S2 MolecularWeight: 415.52574

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=C(SCCO3)C4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=C(SCCO3)C4=CC=CC=C4

InChI

InChI=1S/C21H21NO4S2/c1-25-21(24)16-14-9-5-6-10-15(14)28-20(16)22-19(23)17-18(27-12-11-26-17)13-7-3-2-4-8-13/h2-4,7-8H,5-6,9-12H2,1H3,(H,22,23)