ethyl 2-(2-methylprop-2-enylcarbamothioyl)-5,6,7,8-tetrahydro-4H-1,4-benzothiazine-3-carboxylate

Systemtic Name: ethyl 2-(2-methylprop-2-enylcarbamothioyl)-5,6,7,8-tetrahydro-4H-1,4-benzothiazine-3-carboxylate Openeye Name: ethyl 2-(2-methylallylcarbamothioyl)-5,6,7,8-tetrahydro-4H-1,4-benzothiazine-3-carboxylate CAS Name: 2-[(2-methylprop-2-enylamino)-sulfanylidenemethyl]-5,6,7,8-tetrahydro-4H-1,4-benzothiazine-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-(2-methylprop-2-enylcarbamothioyl)-5,6,7,8-tetrahydro-4H-1,4-benzothiazine-3-carboxylate Traditional Name: 2-(2-methylallylthiocarbamoyl)-5,6,7,8-tetrahydro-4H-1,4-benzothiazine-3-carboxylic acid ethyl ester Formula: C16H22N2O2S2 MolecularWeight: 338.48808

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C(N1)CCCC2)C(=S)NCC(=C)C

Isomeric SMILES

CCOC(=O)C1=C(SC2=C(N1)CCCC2)C(=S)NCC(=C)C

InChI

InChI=1S/C16H22N2O2S2/c1-4-20-16(19)13-14(15(21)17-9-10(2)3)22-12-8-6-5-7-11(12)18-13/h18H,2,4-9H2,1,3H3,(H,17,21)