ethyl 4,7-bis[(4-propan-2-ylphenyl)sulfanyl]quinoline-3-carboxylate

Systemtic Name: ethyl 4,7-bis[(4-propan-2-ylphenyl)sulfanyl]quinoline-3-carboxylate Openeye Name: ethyl 4,7-bis[(4-isopropylphenyl)sulfanyl]quinoline-3-carboxylate CAS Name: 4,7-bis[(4-propan-2-ylphenyl)thio]-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 4,7-bis[(4-propan-2-ylphenyl)sulfanyl]quinoline-3-carboxylate Traditional Name: 4,7-bis(p-cumenylthio)quinoline-3-carboxylic acid ethyl ester Formula: C30H31NO2S2 MolecularWeight: 501.70264

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C2C=C(C=CC2=C1SC3=CC=C(C=C3)C(C)C)SC4=CC=C(C=C4)C(C)C

Isomeric SMILES

CCOC(=O)C1=CN=C2C=C(C=CC2=C1SC3=CC=C(C=C3)C(C)C)SC4=CC=C(C=C4)C(C)C

InChI

InChI=1S/C30H31NO2S2/c1-6-33-30(32)27-18-31-28-17-25(34-23-11-7-21(8-12-23)19(2)3)15-16-26(28)29(27)35-24-13-9-22(10-14-24)20(4)5/h7-20H,6H2,1-5H3