methyl 5-chloranyl-3-methylidene-4-oxidanylidene-thiochromene-8-carboxylate; N-methylmethanamine

Systemtic Name: methyl 5-chloranyl-3-methylidene-4-oxidanylidene-thiochromene-8-carboxylate; N-methylmethanamine Openeye Name: methyl 5-chloro-3-methylene-4-oxo-thiochromane-8-carboxylate; N-methylmethanamine CAS Name: 5-chloro-3-methylene-4-oxo-1-benzothiopyran-8-carboxylic acid methyl ester; N-methylmethanamine IUPAC Name: methyl 5-chloro-3-methylidene-4-oxothiochromene-8-carboxylate; N-methylmethanamine Traditional Name: 5-chloro-4-keto-3-methylene-thiochroman-8-carboxylic acid methyl ester; dimethylamine Formula: C14H16ClNO3S MolecularWeight: 313.79974

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Descriptors Computed from Structure

Canonical SMILES:

CNC.COC(=O)C1=C2C(=C(C=C1)Cl)C(=O)C(=C)CS2

Isomeric SMILES

CNC.COC(=O)C1=C2C(=C(C=C1)Cl)C(=O)C(=C)CS2

InChI

InChI=1S/C12H9ClO3S.C2H7N/c1-6-5-17-11-7(12(15)16-2)3-4-8(13)9(11)10(6)14;1-3-2/h3-4H,1,5H2,2H3;3H,1-2H3