ethyl 4,6-bis(chloranyl)-1-(4-methylphenyl)sulfonyl-3-[(E)-3-[(2-methylpropan-2-yl)oxy]-2-naphthalen-1-yl-3-oxidanylidene-prop-1-enyl]indole-2-carboxylate

Systemtic Name: ethyl 4,6-bis(chloranyl)-1-(4-methylphenyl)sulfonyl-3-[(E)-3-[(2-methylpropan-2-yl)oxy]-2-naphthalen-1-yl-3-oxidanylidene-prop-1-enyl]indole-2-carboxylate Openeye Name: ethyl 3-[(E)-3-tert-butoxy-2-(1-naphthyl)-3-oxo-prop-1-enyl]-4,6-dichloro-1-(p-tolylsulfonyl)indole-2-carboxylate CAS Name: 4,6-dichloro-1-(4-methylphenyl)sulfonyl-3-[(E)-3-[(2-methylpropan-2-yl)oxy]-2-(1-naphthalenyl)-3-oxoprop-1-enyl]-2-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 4,6-dichloro-1-(4-methylphenyl)sulfonyl-3-[(E)-3-[(2-methylpropan-2-yl)oxy]-2-naphthalen-1-yl-3-oxoprop-1-enyl]indole-2-carboxylate Traditional Name: 3-[(E)-3-tert-butoxy-3-keto-2-(1-naphthyl)prop-1-enyl]-4,6-dichloro-1-tosyl-indole-2-carboxylic acid ethyl ester Formula: C35H31Cl2NO6S MolecularWeight: 664.59474

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(C=C(C=C2N1S(=O)(=O)C3=CC=C(C=C3)C)Cl)Cl)C=C(C4=CC=CC5=CC=CC=C54)C(=O)OC(C)(C)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(C=C(C=C2N1S(=O)(=O)C3=CC=C(C=C3)C)Cl)Cl)/C=C(\C4=CC=CC5=CC=CC=C54)/C(=O)OC(C)(C)C

InChI

InChI=1S/C35H31Cl2NO6S/c1-6-43-34(40)32-28(20-27(33(39)44-35(3,4)5)26-13-9-11-22-10-7-8-12-25(22)26)31-29(37)18-23(36)19-30(31)38(32)45(41,42)24-16-14-21(2)15-17-24/h7-20H,6H2,1-5H3/b27-20+