methyl 2-[(3-methyl-1-oxidanylidene-4H-isochromen-3-yl)carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: methyl 2-[(3-methyl-1-oxidanylidene-4H-isochromen-3-yl)carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 2-[(3-methyl-1-oxo-isochromane-3-carbonyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[(3-methyl-1-oxo-3,4-dihydro-1H-2-benzopyran-3-yl)-oxomethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[(3-methyl-1-oxo-4H-isochromene-3-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[(1-keto-3-methyl-isochroman-3-carbonyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C21H21NO5S MolecularWeight: 399.46014

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=CC=CC=C2C(=O)O1)C(=O)NC3=C(C4=C(S3)CCCC4)C(=O)OC

Isomeric SMILES

CC1(CC2=CC=CC=C2C(=O)O1)C(=O)NC3=C(C4=C(S3)CCCC4)C(=O)OC

InChI

InChI=1S/C21H21NO5S/c1-21(11-12-7-3-4-8-13(12)18(23)27-21)20(25)22-17-16(19(24)26-2)14-9-5-6-10-15(14)28-17/h3-4,7-8H,5-6,9-11H2,1-2H3,(H,22,25)