ethyl 2-[2-[(5-cyclopropyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]-4-phenyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[2-[(5-cyclopropyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]-4-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-[(4-allyl-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[[2-[(5-cyclopropyl-4-prop-2-enyl-1,2,4-triazol-3-yl)thio]-1-oxoethyl]amino]-4-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-[(5-cyclopropyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-4-phenylthiophene-3-carboxylate Traditional Name: 2-[[2-[(4-allyl-5-cyclopropyl-1,2,4-triazol-3-yl)thio]acetyl]amino]-4-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C23H24N4O3S2 MolecularWeight: 468.59166

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=O)CSC3=NN=C(N3CC=C)C4CC4

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=O)CSC3=NN=C(N3CC=C)C4CC4

InChI

InChI=1S/C23H24N4O3S2/c1-3-12-27-20(16-10-11-16)25-26-23(27)32-14-18(28)24-21-19(22(29)30-4-2)17(13-31-21)15-8-6-5-7-9-15/h3,5-9,13,16H,1,4,10-12,14H2,2H3,(H,24,28)