methyl 5-methyl-2-[[(3R)-1-oxidanylidene-3,4-dihydroisochromen-3-yl]carbonylamino]thiophene-3-carboxylate

Systemtic Name: methyl 5-methyl-2-[[(3R)-1-oxidanylidene-3,4-dihydroisochromen-3-yl]carbonylamino]thiophene-3-carboxylate Openeye Name: methyl 5-methyl-2-[[(3R)-1-oxoisochromane-3-carbonyl]amino]thiophene-3-carboxylate CAS Name: 5-methyl-2-[[oxo-[(3R)-1-oxo-3,4-dihydro-1H-2-benzopyran-3-yl]methyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-methyl-2-[[(3R)-1-oxo-3,4-dihydroisochromene-3-carbonyl]amino]thiophene-3-carboxylate Traditional Name: 2-[[(3R)-1-ketoisochroman-3-carbonyl]amino]-5-methyl-thiophene-3-carboxylic acid methyl ester Formula: C17H15NO5S MolecularWeight: 345.3697

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(S1)NC(=O)C2CC3=CC=CC=C3C(=O)O2)C(=O)OC

Isomeric SMILES

CC1=CC(=C(S1)NC(=O)[C@H]2CC3=CC=CC=C3C(=O)O2)C(=O)OC

InChI

InChI=1S/C17H15NO5S/c1-9-7-12(16(20)22-2)15(24-9)18-14(19)13-8-10-5-3-4-6-11(10)17(21)23-13/h3-7,13H,8H2,1-2H3,(H,18,19)/t13-/m1/s1