[2-[(5-chloranylthiophen-2-yl)methyl-ethyl-amino]-2-oxidanylidene-ethyl] 4-ethanoyl-3,5-dimethyl-1H-pyrrole-2-carboxylate

Systemtic Name: [2-[(5-chloranylthiophen-2-yl)methyl-ethyl-amino]-2-oxidanylidene-ethyl] 4-ethanoyl-3,5-dimethyl-1H-pyrrole-2-carboxylate Openeye Name: [2-[(5-chloro-2-thienyl)methyl-ethyl-amino]-2-oxo-ethyl] 4-acetyl-3,5-dimethyl-1H-pyrrole-2-carboxylate CAS Name: 4-acetyl-3,5-dimethyl-1H-pyrrole-2-carboxylic acid [2-[(5-chloro-2-thiophenyl)methyl-ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[(5-chlorothiophen-2-yl)methyl-ethylamino]-2-oxoethyl] 4-acetyl-3,5-dimethyl-1H-pyrrole-2-carboxylate Traditional Name: 4-acetyl-3,5-dimethyl-1H-pyrrole-2-carboxylic acid [2-[(5-chloro-2-thienyl)methyl-ethyl-amino]-2-keto-ethyl] ester Formula: C18H21ClN2O4S MolecularWeight: 396.88834

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC=C(S1)Cl)C(=O)COC(=O)C2=C(C(=C(N2)C)C(=O)C)C

Isomeric SMILES

CCN(CC1=CC=C(S1)Cl)C(=O)COC(=O)C2=C(C(=C(N2)C)C(=O)C)C

InChI

InChI=1S/C18H21ClN2O4S/c1-5-21(8-13-6-7-14(19)26-13)15(23)9-25-18(24)17-10(2)16(12(4)22)11(3)20-17/h6-7,20H,5,8-9H2,1-4H3