methyl 3-[4-oxidanylidene-3-(pyridin-2-ylmethyl)-1,3-thiazinan-2-yl]-1H-indole-6-carboxylate

Systemtic Name: methyl 3-[4-oxidanylidene-3-(pyridin-2-ylmethyl)-1,3-thiazinan-2-yl]-1H-indole-6-carboxylate Openeye Name: methyl 3-[4-oxo-3-(2-pyridylmethyl)-1,3-thiazinan-2-yl]-1H-indole-6-carboxylate CAS Name: 3-[4-oxo-3-(2-pyridinylmethyl)-1,3-thiazinan-2-yl]-1H-indole-6-carboxylic acid methyl ester IUPAC Name: methyl 3-[4-oxo-3-(pyridin-2-ylmethyl)-1,3-thiazinan-2-yl]-1H-indole-6-carboxylate Traditional Name: 3-[4-keto-3-(2-pyridylmethyl)-1,3-thiazinan-2-yl]-1H-indole-6-carboxylic acid methyl ester Formula: C20H19N3O3S MolecularWeight: 381.44816

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)C(=CN2)C3N(C(=O)CCS3)CC4=CC=CC=N4

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)C(=CN2)C3N(C(=O)CCS3)CC4=CC=CC=N4

InChI

InChI=1S/C20H19N3O3S/c1-26-20(25)13-5-6-15-16(11-22-17(15)10-13)19-23(18(24)7-9-27-19)12-14-4-2-3-8-21-14/h2-6,8,10-11,19,22H,7,9,12H2,1H3