[2-[(2-cyano-3-methyl-butan-2-yl)amino]-2-oxidanylidene-ethyl] 2-(3-oxidanylidene-4H-1,4-benzothiazin-2-yl)ethanoate

Systemtic Name: [2-[(2-cyano-3-methyl-butan-2-yl)amino]-2-oxidanylidene-ethyl] 2-(3-oxidanylidene-4H-1,4-benzothiazin-2-yl)ethanoate Openeye Name: [2-[(1-cyano-1,2-dimethyl-propyl)amino]-2-oxo-ethyl] 2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetate CAS Name: 2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetic acid [2-[(2-cyano-3-methylbutan-2-yl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(2-cyano-3-methylbutan-2-yl)amino]-2-oxoethyl] 2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetate Traditional Name: 2-(3-keto-4H-1,4-benzothiazin-2-yl)acetic acid [2-[(1-cyano-1,2-dimethyl-propyl)amino]-2-keto-ethyl] ester Formula: C18H21N3O4S MolecularWeight: 375.44204

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C)(C#N)NC(=O)COC(=O)CC1C(=O)NC2=CC=CC=C2S1

Isomeric SMILES

CC(C)C(C)(C#N)NC(=O)COC(=O)CC1C(=O)NC2=CC=CC=C2S1

InChI

InChI=1S/C18H21N3O4S/c1-11(2)18(3,10-19)21-15(22)9-25-16(23)8-14-17(24)20-12-6-4-5-7-13(12)26-14/h4-7,11,14H,8-9H2,1-3H3,(H,20,24)(H,21,22)