propan-2-yl 6-methyl-2-[(1-oxidanylideneisochromen-3-yl)carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: propan-2-yl 6-methyl-2-[(1-oxidanylideneisochromen-3-yl)carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: isopropyl 6-methyl-2-[(1-oxoisochromene-3-carbonyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 6-methyl-2-[[oxo-(1-oxo-2-benzopyran-3-yl)methyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 6-methyl-2-[(1-oxoisochromene-3-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[(1-ketoisochromene-3-carbonyl)amino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid isopropyl ester Formula: C23H23NO5S MolecularWeight: 425.49742

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC(=C2C(=O)OC(C)C)NC(=O)C3=CC4=CC=CC=C4C(=O)O3

Isomeric SMILES

CC1CCC2=C(C1)SC(=C2C(=O)OC(C)C)NC(=O)C3=CC4=CC=CC=C4C(=O)O3

InChI

InChI=1S/C23H23NO5S/c1-12(2)28-23(27)19-16-9-8-13(3)10-18(16)30-21(19)24-20(25)17-11-14-6-4-5-7-15(14)22(26)29-17/h4-7,11-13H,8-10H2,1-3H3,(H,24,25)