methyl 5-(3,4-dihydro-2H-thiochromen-4-ylcarbamoyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate

Systemtic Name: methyl 5-(3,4-dihydro-2H-thiochromen-4-ylcarbamoyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate Openeye Name: methyl 2,4-dimethyl-5-(thiochroman-4-ylcarbamoyl)-1H-pyrrole-3-carboxylate CAS Name: 5-[(3,4-dihydro-2H-1-benzothiopyran-4-ylamino)-oxomethyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid methyl ester IUPAC Name: methyl 5-(3,4-dihydro-2H-thiochromen-4-ylcarbamoyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate Traditional Name: 2,4-dimethyl-5-(thiochroman-4-ylcarbamoyl)-1H-pyrrole-3-carboxylic acid methyl ester Formula: C18H20N2O3S MolecularWeight: 344.428

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)OC)C)C(=O)NC2CCSC3=CC=CC=C23

Isomeric SMILES

CC1=C(NC(=C1C(=O)OC)C)C(=O)NC2CCSC3=CC=CC=C23

InChI

InChI=1S/C18H20N2O3S/c1-10-15(18(22)23-3)11(2)19-16(10)17(21)20-13-8-9-24-14-7-5-4-6-12(13)14/h4-7,13,19H,8-9H2,1-3H3,(H,20,21)