propan-2-yl (8E)-7-azanyl-6-cyano-4-oxidanylidene-3-pyridin-3-yl-8-(pyridin-3-ylmethylidene)pyrrolo[2,1-c][1,4]thiazine-1-carboxylate

Systemtic Name: propan-2-yl (8E)-7-azanyl-6-cyano-4-oxidanylidene-3-pyridin-3-yl-8-(pyridin-3-ylmethylidene)pyrrolo[2,1-c][1,4]thiazine-1-carboxylate Openeye Name: isopropyl (8E)-7-amino-6-cyano-4-oxo-3-(3-pyridyl)-8-(3-pyridylmethylene)pyrrolo[2,1-c][1,4]thiazine-1-carboxylate CAS Name: (8E)-7-amino-6-cyano-4-oxo-3-(3-pyridinyl)-8-(3-pyridinylmethylidene)-1-pyrrolo[2,1-c][1,4]thiazinecarboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl (8E)-7-amino-6-cyano-4-oxo-3-pyridin-3-yl-8-(pyridin-3-ylmethylidene)pyrrolo[2,1-c][1,4]thiazine-1-carboxylate Traditional Name: (8E)-7-amino-6-cyano-4-keto-3-(3-pyridyl)-8-(3-pyridylmethylene)pyrrolo[2,1-c][1,4]thiazine-1-carboxylic acid isopropyl ester Formula: C23H19N5O3S MolecularWeight: 445.49366

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C1=C2C(=CC3=CN=CC=C3)C(=C(N2C(=O)C(S1)C4=CN=CC=C4)C#N)N

Isomeric SMILES

CC(C)OC(=O)C1=C2/C(=C/C3=CN=CC=C3)/C(=C(N2C(=O)C(S1)C4=CN=CC=C4)C#N)N

InChI

InChI=1S/C23H19N5O3S/c1-13(2)31-23(30)21-19-16(9-14-5-3-7-26-11-14)18(25)17(10-24)28(19)22(29)20(32-21)15-6-4-8-27-12-15/h3-9,11-13,20H,25H2,1-2H3/b16-9+