methyl 4-azanyl-3-(1,3-benzodioxol-5-yl)-2-sulfanylidene-1,3-thiazole-5-carboxylate

Systemtic Name: methyl 4-azanyl-3-(1,3-benzodioxol-5-yl)-2-sulfanylidene-1,3-thiazole-5-carboxylate Openeye Name: methyl 4-amino-3-(1,3-benzodioxol-5-yl)-2-thioxo-thiazole-5-carboxylate CAS Name: 4-amino-3-(1,3-benzodioxol-5-yl)-2-sulfanylidene-5-thiazolecarboxylic acid methyl ester IUPAC Name: methyl 4-amino-3-(1,3-benzodioxol-5-yl)-2-sulfanylidene-1,3-thiazole-5-carboxylate Traditional Name: 4-amino-3-(1,3-benzodioxol-5-yl)-2-thioxo-4-thiazoline-5-carboxylic acid methyl ester Formula: C12H10N2O4S2 MolecularWeight: 310.3488

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(N(C(=S)S1)C2=CC3=C(C=C2)OCO3)N

Isomeric SMILES

COC(=O)C1=C(N(C(=S)S1)C2=CC3=C(C=C2)OCO3)N

InChI

InChI=1S/C12H10N2O4S2/c1-16-11(15)9-10(13)14(12(19)20-9)6-2-3-7-8(4-6)18-5-17-7/h2-4H,5,13H2,1H3