dimethyl 4-[(8-chloranyl-5-methoxy-4-oxidanylidene-2,3-dihydro-1H-naphthalen-2-yl)methyl]-6-oxidanylidene-2-phenyl-4,5-dihydro-3aH-1,3-benzothiazole-5,7-dicarboxylate

Systemtic Name: dimethyl 4-[(8-chloranyl-5-methoxy-4-oxidanylidene-2,3-dihydro-1H-naphthalen-2-yl)methyl]-6-oxidanylidene-2-phenyl-4,5-dihydro-3aH-1,3-benzothiazole-5,7-dicarboxylate Openeye Name: dimethyl 4-[(8-chloro-5-methoxy-4-oxo-tetralin-2-yl)methyl]-6-oxo-2-phenyl-4,5-dihydro-3aH-1,3-benzothiazole-5,7-dicarboxylate CAS Name: 4-[(8-chloro-5-methoxy-4-oxo-2,3-dihydro-1H-naphthalen-2-yl)methyl]-6-oxo-2-phenyl-4,5-dihydro-3aH-1,3-benzothiazole-5,7-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 4-[(8-chloro-5-methoxy-4-oxo-2,3-dihydro-1H-naphthalen-2-yl)methyl]-6-oxo-2-phenyl-4,5-dihydro-3aH-1,3-benzothiazole-5,7-dicarboxylate Traditional Name: 4-[(8-chloro-4-keto-5-methoxy-tetralin-2-yl)methyl]-6-keto-2-phenyl-4,5-dihydro-3aH-1,3-benzothiazole-5,7-dicarboxylic acid dimethyl ester Formula: C29H26ClNO7S MolecularWeight: 568.03724

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C2C(=C(C=C1)Cl)CC(CC2=O)CC3C(C(=O)C(=C4C3N=C(S4)C5=CC=CC=C5)C(=O)OC)C(=O)OC

Isomeric SMILES

COC1=C2C(=C(C=C1)Cl)CC(CC2=O)CC3C(C(=O)C(=C4C3N=C(S4)C5=CC=CC=C5)C(=O)OC)C(=O)OC

InChI

InChI=1S/C29H26ClNO7S/c1-36-20-10-9-18(30)16-11-14(13-19(32)21(16)20)12-17-22(28(34)37-2)25(33)23(29(35)38-3)26-24(17)31-27(39-26)15-7-5-4-6-8-15/h4-10,14,17,22,24H,11-13H2,1-3H3