2,2-bis(oxidanylidene)-5-(phenylmethyl)-3,4-dihydro-1H-thiopyrano[4,3-b]indole-8-carboxylate

Systemtic Name: 2,2-bis(oxidanylidene)-5-(phenylmethyl)-3,4-dihydro-1H-thiopyrano[4,3-b]indole-8-carboxylate Openeye Name: 5-benzyl-2,2-dioxo-3,4-dihydro-1H-thiopyrano[4,3-b]indole-8-carboxylate CAS Name: 2,2-dioxo-5-(phenylmethyl)-3,4-dihydro-1H-thiopyrano[4,3-b]indole-8-carboxylate IUPAC Name: 5-benzyl-2,2-dioxo-3,4-dihydro-1H-thiopyrano[4,3-b]indole-8-carboxylate Traditional Name: 5-benzyl-2,2-diketo-3,4-dihydro-1H-thiopyran[4,3-b]indole-8-carboxylate Formula: C19H16NO4S- MolecularWeight: 354.39964

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CS(=O)(=O)CC2=C1N(C3=C2C=C(C=C3)C(=O)[O-])CC4=CC=CC=C4

Isomeric SMILES

C1CS(=O)(=O)CC2=C1N(C3=C2C=C(C=C3)C(=O)[O-])CC4=CC=CC=C4

InChI

InChI=1S/C19H17NO4S/c21-19(22)14-6-7-17-15(10-14)16-12-25(23,24)9-8-18(16)20(17)11-13-4-2-1-3-5-13/h1-7,10H,8-9,11-12H2,(H,21,22)/p-1