(5-azanyl-4-cyano-2-ethoxycarbonyl-thiophen-3-yl)methyl 3-oxidanylidene-4H-1,4-benzothiazine-6-carboxylate

Systemtic Name: (5-azanyl-4-cyano-2-ethoxycarbonyl-thiophen-3-yl)methyl 3-oxidanylidene-4H-1,4-benzothiazine-6-carboxylate Openeye Name: (5-amino-4-cyano-2-ethoxycarbonyl-3-thienyl)methyl 3-oxo-4H-1,4-benzothiazine-6-carboxylate CAS Name: 3-oxo-4H-1,4-benzothiazine-6-carboxylic acid (5-amino-4-cyano-2-ethoxycarbonyl-3-thiophenyl)methyl ester IUPAC Name: (5-amino-4-cyano-2-ethoxycarbonylthiophen-3-yl)methyl 3-oxo-4H-1,4-benzothiazine-6-carboxylate Traditional Name: 3-keto-4H-1,4-benzothiazine-6-carboxylic acid (5-amino-2-carbethoxy-4-cyano-3-thienyl)methyl ester Formula: C18H15N3O5S2 MolecularWeight: 417.4588

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)N)C#N)COC(=O)C2=CC3=C(C=C2)SCC(=O)N3

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)N)C#N)COC(=O)C2=CC3=C(C=C2)SCC(=O)N3

InChI

InChI=1S/C18H15N3O5S2/c1-2-25-18(24)15-11(10(6-19)16(20)28-15)7-26-17(23)9-3-4-13-12(5-9)21-14(22)8-27-13/h3-5H,2,7-8,20H2,1H3,(H,21,22)