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

Systemtic Name: ethyl (8Z)-7-azanyl-6-cyano-4-oxidanylidene-3-pyridin-4-yl-8-(pyridin-4-ylmethylidene)pyrrolo[2,1-c][1,4]thiazine-1-carboxylate Openeye Name: ethyl (8Z)-7-amino-6-cyano-4-oxo-3-(4-pyridyl)-8-(4-pyridylmethylene)pyrrolo[2,1-c][1,4]thiazine-1-carboxylate CAS Name: (8Z)-7-amino-6-cyano-4-oxo-3-pyridin-4-yl-8-(pyridin-4-ylmethylidene)-1-pyrrolo[2,1-c][1,4]thiazinecarboxylic acid ethyl ester IUPAC Name: ethyl (8Z)-7-amino-6-cyano-4-oxo-3-pyridin-4-yl-8-(pyridin-4-ylmethylidene)pyrrolo[2,1-c][1,4]thiazine-1-carboxylate Traditional Name: (8Z)-7-amino-6-cyano-4-keto-3-(4-pyridyl)-8-(4-pyridylmethylene)pyrrolo[2,1-c][1,4]thiazine-1-carboxylic acid ethyl ester Formula: C22H17N5O3S MolecularWeight: 431.46708

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C2C(=CC3=CC=NC=C3)C(=C(N2C(=O)C(S1)C4=CC=NC=C4)C#N)N

Isomeric SMILES

CCOC(=O)C1=C2/C(=C\C3=CC=NC=C3)/C(=C(N2C(=O)C(S1)C4=CC=NC=C4)C#N)N

InChI

InChI=1S/C22H17N5O3S/c1-2-30-22(29)20-18-15(11-13-3-7-25-8-4-13)17(24)16(12-23)27(18)21(28)19(31-20)14-5-9-26-10-6-14/h3-11,19H,2,24H2,1H3/b15-11-