ethyl 2-cyano-6,7-dimethyl-1,1-bis(oxidanylidene)-5-(phenylmethyl)-4H-pyrrolo[3,2-b][1,4]thiazine-3-carboxylate

Systemtic Name: ethyl 2-cyano-6,7-dimethyl-1,1-bis(oxidanylidene)-5-(phenylmethyl)-4H-pyrrolo[3,2-b][1,4]thiazine-3-carboxylate Openeye Name: ethyl 5-benzyl-2-cyano-6,7-dimethyl-1,1-dioxo-4H-pyrrolo[3,2-b][1,4]thiazine-3-carboxylate CAS Name: 2-cyano-6,7-dimethyl-1,1-dioxo-5-(phenylmethyl)-4H-pyrrolo[3,2-b][1,4]thiazine-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5-benzyl-2-cyano-6,7-dimethyl-1,1-dioxo-4H-pyrrolo[3,2-b][1,4]thiazine-3-carboxylate Traditional Name: 5-benzyl-2-cyano-1,1-diketo-6,7-dimethyl-4H-pyrrolo[3,2-b][1,4]thiazine-3-carboxylic acid ethyl ester Formula: C19H19N3O4S MolecularWeight: 385.43686

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(S(=O)(=O)C2=C(N1)N(C(=C2C)C)CC3=CC=CC=C3)C#N

Isomeric SMILES

CCOC(=O)C1=C(S(=O)(=O)C2=C(N1)N(C(=C2C)C)CC3=CC=CC=C3)C#N

InChI

InChI=1S/C19H19N3O4S/c1-4-26-19(23)16-15(10-20)27(24,25)17-12(2)13(3)22(18(17)21-16)11-14-8-6-5-7-9-14/h5-9,21H,4,11H2,1-3H3