methyl 3-(methoxycarbothioylamino)-4-oxidanylidene-quinolizine-1-carboxylate

Systemtic Name: methyl 3-(methoxycarbothioylamino)-4-oxidanylidene-quinolizine-1-carboxylate Openeye Name: methyl 3-(methoxycarbothioylamino)-4-oxo-quinolizine-1-carboxylate CAS Name: 3-[[methoxy(sulfanylidene)methyl]amino]-4-oxo-1-quinolizinecarboxylic acid methyl ester IUPAC Name: methyl 3-(methoxycarbothioylamino)-4-oxoquinolizine-1-carboxylate Traditional Name: 4-keto-3-(methoxycarbothioylamino)quinolizine-1-carboxylic acid methyl ester Formula: C13H12N2O4S MolecularWeight: 292.31038

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C2C=CC=CN2C(=O)C(=C1)NC(=S)OC

Isomeric SMILES

COC(=O)C1=C2C=CC=CN2C(=O)C(=C1)NC(=S)OC

InChI

InChI=1S/C13H12N2O4S/c1-18-12(17)8-7-9(14-13(20)19-2)11(16)15-6-4-3-5-10(8)15/h3-7H,1-2H3,(H,14,20)