ethyl 2-[[5-[4-(4-chlorophenyl)-3-pyrrol-1-yl-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-2-yl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanoate

Systemtic Name: ethyl 2-[[5-[4-(4-chlorophenyl)-3-pyrrol-1-yl-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-2-yl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: ethyl 2-[[5-[4-(4-chlorophenyl)-3-pyrrol-1-yl-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-2-yl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[5-[4-(4-chlorophenyl)-3-(1-pyrrolyl)-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-2-yl]-4-phenyl-1,2,4-triazol-3-yl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[[5-[4-(4-chlorophenyl)-3-pyrrol-1-yl-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-2-yl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[5-[4-(4-chlorophenyl)-3-pyrrol-1-yl-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-2-yl]-4-phenyl-1,2,4-triazol-3-yl]thio]acetic acid ethyl ester Formula: C33H28ClN5O2S2 MolecularWeight: 626.19072

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=NN=C(N1C2=CC=CC=C2)C3=C(C4=C(C5=C(CCCC5)N=C4S3)C6=CC=C(C=C6)Cl)N7C=CC=C7

Isomeric SMILES

CCOC(=O)CSC1=NN=C(N1C2=CC=CC=C2)C3=C(C4=C(C5=C(CCCC5)N=C4S3)C6=CC=C(C=C6)Cl)N7C=CC=C7

InChI

InChI=1S/C33H28ClN5O2S2/c1-2-41-26(40)20-42-33-37-36-31(39(33)23-10-4-3-5-11-23)30-29(38-18-8-9-19-38)28-27(21-14-16-22(34)17-15-21)24-12-6-7-13-25(24)35-32(28)43-30/h3-5,8-11,14-19H,2,6-7,12-13,20H2,1H3