ethyl 4-[(E)-3-[cyclopropyl(thiophen-2-ylmethyl)amino]-3-oxidanylidene-prop-1-enyl]-1-ethyl-2,5-dimethyl-pyrrole-3-carboxylate

Systemtic Name: ethyl 4-[(E)-3-[cyclopropyl(thiophen-2-ylmethyl)amino]-3-oxidanylidene-prop-1-enyl]-1-ethyl-2,5-dimethyl-pyrrole-3-carboxylate Openeye Name: ethyl 4-[(E)-3-[cyclopropyl(2-thienylmethyl)amino]-3-oxo-prop-1-enyl]-1-ethyl-2,5-dimethyl-pyrrole-3-carboxylate CAS Name: 4-[(E)-3-[cyclopropyl(thiophen-2-ylmethyl)amino]-3-oxoprop-1-enyl]-1-ethyl-2,5-dimethyl-3-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(E)-3-[cyclopropyl(thiophen-2-ylmethyl)amino]-3-oxoprop-1-enyl]-1-ethyl-2,5-dimethylpyrrole-3-carboxylate Traditional Name: 4-[(E)-3-[cyclopropyl(2-thenyl)amino]-3-keto-prop-1-enyl]-1-ethyl-2,5-dimethyl-pyrrole-3-carboxylic acid ethyl ester Formula: C22H28N2O3S MolecularWeight: 400.53432

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C(=C1C)C(=O)OCC)C=CC(=O)N(CC2=CC=CS2)C3CC3)C

Isomeric SMILES

CCN1C(=C(C(=C1C)C(=O)OCC)/C=C/C(=O)N(CC2=CC=CS2)C3CC3)C

InChI

InChI=1S/C22H28N2O3S/c1-5-23-15(3)19(21(16(23)4)22(26)27-6-2)11-12-20(25)24(17-9-10-17)14-18-8-7-13-28-18/h7-8,11-13,17H,5-6,9-10,14H2,1-4H3/b12-11+