ethyl (2R)-7-methyl-2-(morpholin-4-ylcarbothioylamino)-3-oxidanylidene-4H-1,4-benzothiazine-2-carboxylate

Systemtic Name: ethyl (2R)-7-methyl-2-(morpholin-4-ylcarbothioylamino)-3-oxidanylidene-4H-1,4-benzothiazine-2-carboxylate Openeye Name: ethyl (2R)-7-methyl-2-(morpholine-4-carbothioylamino)-3-oxo-4H-1,4-benzothiazine-2-carboxylate CAS Name: (2R)-7-methyl-2-[[4-morpholinyl(sulfanylidene)methyl]amino]-3-oxo-4H-1,4-benzothiazine-2-carboxylic acid ethyl ester IUPAC Name: ethyl (2R)-7-methyl-2-(morpholine-4-carbothioylamino)-3-oxo-4H-1,4-benzothiazine-2-carboxylate Traditional Name: (2R)-3-keto-7-methyl-2-(morpholine-4-carbothioylamino)-4H-1,4-benzothiazine-2-carboxylic acid ethyl ester Formula: C17H21N3O4S2 MolecularWeight: 395.49634

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(C(=O)NC2=C(S1)C=C(C=C2)C)NC(=S)N3CCOCC3

Isomeric SMILES

CCOC(=O)[C@]1(C(=O)NC2=C(S1)C=C(C=C2)C)NC(=S)N3CCOCC3

InChI

InChI=1S/C17H21N3O4S2/c1-3-24-15(22)17(19-16(25)20-6-8-23-9-7-20)14(21)18-12-5-4-11(2)10-13(12)26-17/h4-5,10H,3,6-9H2,1-2H3,(H,18,21)(H,19,25)/t17-/m1/s1