ethyl 2-[2-[[5-[1-(3-chloranylphenoxy)ethyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethanoylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 2-[2-[[5-[1-(3-chloranylphenoxy)ethyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethanoylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[[2-[[4-allyl-5-[1-(3-chlorophenoxy)ethyl]-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[2-[[5-[1-(3-chlorophenoxy)ethyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]-1-oxoethyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-[[5-[1-(3-chlorophenoxy)ethyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[2-[[4-allyl-5-[1-(3-chlorophenoxy)ethyl]-1,2,4-triazol-3-yl]thio]acetyl]amino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C27H31ClN4O4S2 MolecularWeight: 575.14244

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCC(C2)C)NC(=O)CSC3=NN=C(N3CC=C)C(C)OC4=CC(=CC=C4)Cl

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCC(C2)C)NC(=O)CSC3=NN=C(N3CC=C)C(C)OC4=CC(=CC=C4)Cl

InChI

InChI=1S/C27H31ClN4O4S2/c1-5-12-32-24(17(4)36-19-9-7-8-18(28)14-19)30-31-27(32)37-15-22(33)29-25-23(26(34)35-6-2)20-11-10-16(3)13-21(20)38-25/h5,7-9,14,16-17H,1,6,10-13,15H2,2-4H3,(H,29,33)