ethyl 4,5-dimethyl-2-[[(3R)-7-methyl-1-oxidanylidene-3,4-dihydroisochromen-3-yl]carbonylamino]thiophene-3-carboxylate

Systemtic Name: ethyl 4,5-dimethyl-2-[[(3R)-7-methyl-1-oxidanylidene-3,4-dihydroisochromen-3-yl]carbonylamino]thiophene-3-carboxylate Openeye Name: ethyl 4,5-dimethyl-2-[[(3R)-7-methyl-1-oxo-isochromane-3-carbonyl]amino]thiophene-3-carboxylate CAS Name: 4,5-dimethyl-2-[[[(3R)-7-methyl-1-oxo-3,4-dihydro-1H-2-benzopyran-3-yl]-oxomethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4,5-dimethyl-2-[[(3R)-7-methyl-1-oxo-3,4-dihydroisochromene-3-carbonyl]amino]thiophene-3-carboxylate Traditional Name: 2-[[(3R)-1-keto-7-methyl-isochroman-3-carbonyl]amino]-4,5-dimethyl-thiophene-3-carboxylic acid ethyl ester Formula: C20H21NO5S MolecularWeight: 387.44944

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C)NC(=O)C2CC3=C(C=C(C=C3)C)C(=O)O2

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C)NC(=O)[C@H]2CC3=C(C=C(C=C3)C)C(=O)O2

InChI

InChI=1S/C20H21NO5S/c1-5-25-20(24)16-11(3)12(4)27-18(16)21-17(22)15-9-13-7-6-10(2)8-14(13)19(23)26-15/h6-8,15H,5,9H2,1-4H3,(H,21,22)/t15-/m1/s1