methyl 6,7-dimethoxy-1-oxidanylidene-2-thiomorpholin-4-yl-4-(3,4,5-trimethoxyphenyl)isoquinoline-3-carboxylate

Systemtic Name: methyl 6,7-dimethoxy-1-oxidanylidene-2-thiomorpholin-4-yl-4-(3,4,5-trimethoxyphenyl)isoquinoline-3-carboxylate Openeye Name: methyl 6,7-dimethoxy-1-oxo-2-thiomorpholino-4-(3,4,5-trimethoxyphenyl)isoquinoline-3-carboxylate CAS Name: 6,7-dimethoxy-1-oxo-2-thiomorpholin-4-yl-4-(3,4,5-trimethoxyphenyl)-3-isoquinolinecarboxylic acid methyl ester IUPAC Name: methyl 6,7-dimethoxy-1-oxo-2-thiomorpholin-4-yl-4-(3,4,5-trimethoxyphenyl)isoquinoline-3-carboxylate Traditional Name: 1-keto-6,7-dimethoxy-2-thiomorpholino-4-(3,4,5-trimethoxyphenyl)isoquinoline-3-carboxylic acid methyl ester Formula: C26H30N2O8S MolecularWeight: 530.59

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C2=C(N(C(=O)C3=CC(=C(C=C32)OC)OC)N4CCSCC4)C(=O)OC

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C2=C(N(C(=O)C3=CC(=C(C=C32)OC)OC)N4CCSCC4)C(=O)OC

InChI

InChI=1S/C26H30N2O8S/c1-31-18-13-16-17(14-19(18)32-2)25(29)28(27-7-9-37-10-8-27)23(26(30)36-6)22(16)15-11-20(33-3)24(35-5)21(12-15)34-4/h11-14H,7-10H2,1-6H3