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

Systemtic Name: ethyl 4-cyclopropyl-2-[2-[(5-cyclopropyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]propanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 2-[2-[(4-allyl-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]propanoylamino]-4-cyclopropyl-thiophene-3-carboxylate CAS Name: 4-cyclopropyl-2-[[2-[(5-cyclopropyl-4-prop-2-enyl-1,2,4-triazol-3-yl)thio]-1-oxopropyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-cyclopropyl-2-[2-[(5-cyclopropyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]propanoylamino]thiophene-3-carboxylate Traditional Name: 2-[2-[(4-allyl-5-cyclopropyl-1,2,4-triazol-3-yl)thio]propanoylamino]-4-cyclopropyl-thiophene-3-carboxylic acid ethyl ester Formula: C21H26N4O3S2 MolecularWeight: 446.58614

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2CC2)NC(=O)C(C)SC3=NN=C(N3CC=C)C4CC4

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2CC2)NC(=O)C(C)SC3=NN=C(N3CC=C)C4CC4

InChI

InChI=1S/C21H26N4O3S2/c1-4-10-25-17(14-8-9-14)23-24-21(25)30-12(3)18(26)22-19-16(20(27)28-5-2)15(11-29-19)13-6-7-13/h4,11-14H,1,5-10H2,2-3H3,(H,22,26)