methyl 9-methoxy-4-oxidanylidene-5-(phenylmethyl)-1H-thiopyrano[4,3-b]indole-1-carboxylate

Systemtic Name: methyl 9-methoxy-4-oxidanylidene-5-(phenylmethyl)-1H-thiopyrano[4,3-b]indole-1-carboxylate Openeye Name: methyl 5-benzyl-9-methoxy-4-oxo-1H-thiopyrano[4,3-b]indole-1-carboxylate CAS Name: 9-methoxy-4-oxo-5-(phenylmethyl)-1H-thiopyrano[4,3-b]indole-1-carboxylic acid methyl ester IUPAC Name: methyl 5-benzyl-9-methoxy-4-oxo-1H-thiopyrano[4,3-b]indole-1-carboxylate Traditional Name: 5-benzyl-4-keto-9-methoxy-1H-thiopyran[4,3-b]indole-1-carboxylic acid methyl ester Formula: C21H19NO4S MolecularWeight: 381.44486

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC2=C1C3=C(N2CC4=CC=CC=C4)C(=O)CSC3C(=O)OC

Isomeric SMILES

COC1=CC=CC2=C1C3=C(N2CC4=CC=CC=C4)C(=O)CSC3C(=O)OC

InChI

InChI=1S/C21H19NO4S/c1-25-16-10-6-9-14-17(16)18-19(15(23)12-27-20(18)21(24)26-2)22(14)11-13-7-4-3-5-8-13/h3-10,20H,11-12H2,1-2H3