tetramethyl 9'-chloranyl-5',5'-dimethyl-6'-(2-methylphenyl)carbonyl-spiro[1,3-dithiole-2,1'-thiopyrano[2,3-c]quinoline]-2',3',4,5-tetracarboxylate

Systemtic Name: tetramethyl 9'-chloranyl-5',5'-dimethyl-6'-(2-methylphenyl)carbonyl-spiro[1,3-dithiole-2,1'-thiopyrano[2,3-c]quinoline]-2',3',4,5-tetracarboxylate Openeye Name: tetramethyl 9'-chloro-5',5'-dimethyl-6'-(2-methylbenzoyl)spiro[1,3-dithiole-2,1'-thiopyrano[2,3-c]quinoline]-2',3',4,5-tetracarboxylate CAS Name: 9'-chloro-5',5'-dimethyl-6'-[(2-methylphenyl)-oxomethyl]spiro[1,3-dithiole-2,1'-thiopyrano[2,3-c]quinoline]-2',3',4,5-tetracarboxylic acid tetramethyl ester IUPAC Name: tetramethyl 9'-chloro-5',5'-dimethyl-6'-(2-methylbenzoyl)spiro[1,3-dithiole-2,1'-thiopyrano[2,3-c]quinoline]-2',3',4,5-tetracarboxylate Traditional Name: 9'-chloro-5',5'-dimethyl-6'-o-toluoyl-spiro[1,3-dithiole-2,1'-thiopyrano[2,3-c]quinoline]-2',3',4,5-tetracarboxylic acid tetramethyl ester Formula: C32H28ClNO9S3 MolecularWeight: 702.21402

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)N2C3=C(C=C(C=C3)Cl)C4=C(C2(C)C)SC(=C(C45SC(=C(S5)C(=O)OC)C(=O)OC)C(=O)OC)C(=O)OC

Isomeric SMILES

CC1=CC=CC=C1C(=O)N2C3=C(C=C(C=C3)Cl)C4=C(C2(C)C)SC(=C(C45SC(=C(S5)C(=O)OC)C(=O)OC)C(=O)OC)C(=O)OC

InChI

InChI=1S/C32H28ClNO9S3/c1-15-10-8-9-11-17(15)26(35)34-19-13-12-16(33)14-18(19)20-25(31(34,2)3)44-22(28(37)41-5)21(27(36)40-4)32(20)45-23(29(38)42-6)24(46-32)30(39)43-7/h8-14H,1-7H3