ethyl 2-(diethylcarbamothioylamino)-7-methyl-3-oxidanylidene-4H-1,4-benzothiazine-2-carboxylate

Systemtic Name: ethyl 2-(diethylcarbamothioylamino)-7-methyl-3-oxidanylidene-4H-1,4-benzothiazine-2-carboxylate Openeye Name: ethyl 2-(diethylcarbamothioylamino)-7-methyl-3-oxo-4H-1,4-benzothiazine-2-carboxylate CAS Name: 2-[[diethylamino(sulfanylidene)methyl]amino]-7-methyl-3-oxo-4H-1,4-benzothiazine-2-carboxylic acid ethyl ester IUPAC Name: ethyl 2-(diethylcarbamothioylamino)-7-methyl-3-oxo-4H-1,4-benzothiazine-2-carboxylate Traditional Name: 2-(diethylthiocarbamoylamino)-3-keto-7-methyl-4H-1,4-benzothiazine-2-carboxylic acid ethyl ester Formula: C17H23N3O3S2 MolecularWeight: 381.51282

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=S)NC1(C(=O)NC2=C(S1)C=C(C=C2)C)C(=O)OCC

Isomeric SMILES

CCN(CC)C(=S)NC1(C(=O)NC2=C(S1)C=C(C=C2)C)C(=O)OCC

InChI

InChI=1S/C17H23N3O3S2/c1-5-20(6-2)16(24)19-17(15(22)23-7-3)14(21)18-12-9-8-11(4)10-13(12)25-17/h8-10H,5-7H2,1-4H3,(H,18,21)(H,19,24)