dimethyl 5-deuterio-6-methyl-3,3-bis(oxidanylidene)thiepino[4,5-b]indole-2,4-dicarboxylate

Systemtic Name: dimethyl 5-deuterio-6-methyl-3,3-bis(oxidanylidene)thiepino[4,5-b]indole-2,4-dicarboxylate Openeye Name: dimethyl 5-deuterio-6-methyl-3,3-dioxo-thiepino[4,5-b]indole-2,4-dicarboxylate CAS Name: 5-deuterio-6-methyl-3,3-dioxothiepino[4,5-b]indole-2,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-deuterio-6-methyl-3,3-dioxothiepino[4,5-b]indole-2,4-dicarboxylate Traditional Name: 5-deuterio-3,3-diketo-6-methyl-thiepin[4,5-b]indole-2,4-dicarboxylic acid dimethyl ester Formula: C17H15NO6S MolecularWeight: 362.375262

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2C3=C1C=C(S(=O)(=O)C(=C3)C(=O)OC)C(=O)OC

Isomeric SMILES

[2H]C1=C(S(=O)(=O)C(=CC2=C1N(C3=CC=CC=C32)C)C(=O)OC)C(=O)OC

InChI

InChI=1S/C17H15NO6S/c1-18-12-7-5-4-6-10(12)11-8-14(16(19)23-2)25(21,22)15(9-13(11)18)17(20)24-3/h4-9H,1-3H3/i9D