1-(2-acetamidoethyl)-5-[2-(4-methoxy-3-nitro-phenyl)-1,3-thiazol-4-yl]-2-methyl-pyrrole-3-carboxamide

Systemtic Name: 1-(2-acetamidoethyl)-5-[2-(4-methoxy-3-nitro-phenyl)-1,3-thiazol-4-yl]-2-methyl-pyrrole-3-carboxamide Openeye Name: 1-(2-acetamidoethyl)-5-[2-(4-methoxy-3-nitro-phenyl)thiazol-4-yl]-2-methyl-pyrrole-3-carboxamide CAS Name: 1-(2-acetamidoethyl)-5-[2-(4-methoxy-3-nitrophenyl)-4-thiazolyl]-2-methyl-3-pyrrolecarboxamide IUPAC Name: 1-(2-acetamidoethyl)-5-[2-(4-methoxy-3-nitrophenyl)-1,3-thiazol-4-yl]-2-methylpyrrole-3-carboxamide Traditional Name: 1-(2-acetamidoethyl)-5-[2-(4-methoxy-3-nitro-phenyl)thiazol-4-yl]-2-methyl-pyrrole-3-carboxamide Formula: C20H21N5O5S MolecularWeight: 443.47624

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(N1CCNC(=O)C)C2=CSC(=N2)C3=CC(=C(C=C3)OC)[N+](=O)[O-])C(=O)N

Isomeric SMILES

CC1=C(C=C(N1CCNC(=O)C)C2=CSC(=N2)C3=CC(=C(C=C3)OC)[N+](=O)[O-])C(=O)N

InChI

InChI=1S/C20H21N5O5S/c1-11-14(19(21)27)9-16(24(11)7-6-22-12(2)26)15-10-31-20(23-15)13-4-5-18(30-3)17(8-13)25(28)29/h4-5,8-10H,6-7H2,1-3H3,(H2,21,27)(H,22,26)