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

Systemtic Name: methyl 3-[4-oxidanylidene-3-(pyridin-4-ylmethyl)-1,3-thiazinan-2-yl]-1H-indole-6-carboxylate Openeye Name: methyl 3-[4-oxo-3-(4-pyridylmethyl)-1,3-thiazinan-2-yl]-1H-indole-6-carboxylate CAS Name: 3-[4-oxo-3-(pyridin-4-ylmethyl)-1,3-thiazinan-2-yl]-1H-indole-6-carboxylic acid methyl ester IUPAC Name: methyl 3-[4-oxo-3-(pyridin-4-ylmethyl)-1,3-thiazinan-2-yl]-1H-indole-6-carboxylate Traditional Name: 3-[4-keto-3-(4-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=NC=C4

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)C(=CN2)C3N(C(=O)CCS3)CC4=CC=NC=C4

InChI

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