ethyl 2-[2-(1-cyclopropylimidazol-2-yl)sulfanylpropanoylamino]-4-phenyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[2-(1-cyclopropylimidazol-2-yl)sulfanylpropanoylamino]-4-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[2-(1-cyclopropylimidazol-2-yl)sulfanylpropanoylamino]-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[[2-[(1-cyclopropyl-2-imidazolyl)thio]-1-oxopropyl]amino]-4-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[2-(1-cyclopropylimidazol-2-yl)sulfanylpropanoylamino]-4-phenylthiophene-3-carboxylate Traditional Name: 2-[2-[(1-cyclopropylimidazol-2-yl)thio]propanoylamino]-4-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C22H23N3O3S2 MolecularWeight: 441.56632

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=O)C(C)SC3=NC=CN3C4CC4

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=O)C(C)SC3=NC=CN3C4CC4

InChI

InChI=1S/C22H23N3O3S2/c1-3-28-21(27)18-17(15-7-5-4-6-8-15)13-29-20(18)24-19(26)14(2)30-22-23-11-12-25(22)16-9-10-16/h4-8,11-14,16H,3,9-10H2,1-2H3,(H,24,26)