methyl 2-[2-[[5-(benzotriazol-1-ylmethyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethanoylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate

Systemtic Name: methyl 2-[2-[[5-(benzotriazol-1-ylmethyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethanoylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate Openeye Name: methyl 2-[[2-[[4-allyl-5-(benzotriazol-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate CAS Name: 2-[[2-[[5-(1-benzotriazolylmethyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]-1-oxoethyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[[2-[[5-(benzotriazol-1-ylmethyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate Traditional Name: 2-[[2-[[4-allyl-5-(benzotriazol-1-ylmethyl)-1,2,4-triazol-3-yl]thio]acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid methyl ester Formula: C23H23N7O3S2 MolecularWeight: 509.60382

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC2=C1CCC2)NC(=O)CSC3=NN=C(N3CC=C)CN4C5=CC=CC=C5N=N4

Isomeric SMILES

COC(=O)C1=C(SC2=C1CCC2)NC(=O)CSC3=NN=C(N3CC=C)CN4C5=CC=CC=C5N=N4

InChI

InChI=1S/C23H23N7O3S2/c1-3-11-29-18(12-30-16-9-5-4-8-15(16)25-28-30)26-27-23(29)34-13-19(31)24-21-20(22(32)33-2)14-7-6-10-17(14)35-21/h3-5,8-9H,1,6-7,10-13H2,2H3,(H,24,31)