dimethyl 3-ethanoyl-4-(2-methoxy-2-oxidanylidene-ethyl)sulfanyl-1H-indole-6,7-dicarboxylate

Systemtic Name: dimethyl 3-ethanoyl-4-(2-methoxy-2-oxidanylidene-ethyl)sulfanyl-1H-indole-6,7-dicarboxylate Openeye Name: dimethyl 3-acetyl-4-(2-methoxy-2-oxo-ethyl)sulfanyl-1H-indole-6,7-dicarboxylate CAS Name: 3-acetyl-4-[(2-methoxy-2-oxoethyl)thio]-1H-indole-6,7-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 3-acetyl-4-(2-methoxy-2-oxoethyl)sulfanyl-1H-indole-6,7-dicarboxylate Traditional Name: 3-acetyl-4-[(2-keto-2-methoxy-ethyl)thio]-1H-indole-6,7-dicarboxylic acid dimethyl ester Formula: C17H17NO7S MolecularWeight: 379.38438

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CNC2=C(C(=CC(=C12)SCC(=O)OC)C(=O)OC)C(=O)OC

Isomeric SMILES

CC(=O)C1=CNC2=C(C(=CC(=C12)SCC(=O)OC)C(=O)OC)C(=O)OC

InChI

InChI=1S/C17H17NO7S/c1-8(19)10-6-18-15-13(10)11(26-7-12(20)23-2)5-9(16(21)24-3)14(15)17(22)25-4/h5-6,18H,7H2,1-4H3