ethyl (Z)-2-(4-methylsulfonylphenyl)-3-[3-(6-propan-2-ylquinolin-8-yl)phenyl]prop-2-enoate

Systemtic Name: ethyl (Z)-2-(4-methylsulfonylphenyl)-3-[3-(6-propan-2-ylquinolin-8-yl)phenyl]prop-2-enoate Openeye Name: ethyl (Z)-3-[3-(6-isopropyl-8-quinolyl)phenyl]-2-(4-methylsulfonylphenyl)prop-2-enoate CAS Name: (Z)-2-(4-methylsulfonylphenyl)-3-[3-(6-propan-2-yl-8-quinolinyl)phenyl]-2-propenoic acid ethyl ester IUPAC Name: ethyl (Z)-2-(4-methylsulfonylphenyl)-3-[3-(6-propan-2-ylquinolin-8-yl)phenyl]prop-2-enoate Traditional Name: (Z)-3-[3-(6-isopropyl-8-quinolyl)phenyl]-2-(4-mesylphenyl)acrylic acid ethyl ester Formula: C30H29NO4S MolecularWeight: 499.62056

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=CC1=CC=CC(=C1)C2=C3C(=CC(=C2)C(C)C)C=CC=N3)C4=CC=C(C=C4)S(=O)(=O)C

Isomeric SMILES

CCOC(=O)/C(=C\C1=CC=CC(=C1)C2=C3C(=CC(=C2)C(C)C)C=CC=N3)/C4=CC=C(C=C4)S(=O)(=O)C

InChI

InChI=1S/C30H29NO4S/c1-5-35-30(32)28(22-11-13-26(14-12-22)36(4,33)34)17-21-8-6-9-23(16-21)27-19-25(20(2)3)18-24-10-7-15-31-29(24)27/h6-20H,5H2,1-4H3/b28-17-