ethyl 5-[[(4S)-3,4-dihydro-2H-thiochromen-4-yl]carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate

Systemtic Name: ethyl 5-[[(4S)-3,4-dihydro-2H-thiochromen-4-yl]carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Openeye Name: ethyl 2,4-dimethyl-5-[[(4S)-thiochroman-4-yl]carbamoyl]-1H-pyrrole-3-carboxylate CAS Name: 5-[[[(4S)-3,4-dihydro-2H-1-benzothiopyran-4-yl]amino]-oxomethyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5-[[(4S)-3,4-dihydro-2H-thiochromen-4-yl]carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Traditional Name: 2,4-dimethyl-5-[[(4S)-thiochroman-4-yl]carbamoyl]-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C19H22N2O3S MolecularWeight: 358.45458

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C)C(=O)NC2CCSC3=CC=CC=C23)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C)C(=O)N[C@H]2CCSC3=CC=CC=C23)C

InChI

InChI=1S/C19H22N2O3S/c1-4-24-19(23)16-11(2)17(20-12(16)3)18(22)21-14-9-10-25-15-8-6-5-7-13(14)15/h5-8,14,20H,4,9-10H2,1-3H3,(H,21,22)/t14-/m0/s1