methyl 3-azanyl-1-sulfanylidene-5,6,7,8-tetrahydroisothiochromene-4-carboxylate

Systemtic Name: methyl 3-azanyl-1-sulfanylidene-5,6,7,8-tetrahydroisothiochromene-4-carboxylate Openeye Name: methyl 3-amino-1-thioxo-5,6,7,8-tetrahydroisothiochromene-4-carboxylate CAS Name: 3-amino-1-sulfanylidene-5,6,7,8-tetrahydro-2-benzothiopyran-4-carboxylic acid methyl ester IUPAC Name: methyl 3-amino-1-sulfanylidene-5,6,7,8-tetrahydroisothiochromene-4-carboxylate Traditional Name: 3-amino-1-thioxo-5,6,7,8-tetrahydroisothiochromene-4-carboxylic acid methyl ester Formula: C11H13NO2S2 MolecularWeight: 255.35642

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC(=S)C2=C1CCCC2)N

Isomeric SMILES

COC(=O)C1=C(SC(=S)C2=C1CCCC2)N

InChI

InChI=1S/C11H13NO2S2/c1-14-10(13)8-6-4-2-3-5-7(6)11(15)16-9(8)12/h2-5,12H2,1H3