methyl 4-oxidanylidene-2-sulfanylidene-3-(2-thiophen-2-ylethyl)-1H-quinazoline-7-carboxylate

Systemtic Name: methyl 4-oxidanylidene-2-sulfanylidene-3-(2-thiophen-2-ylethyl)-1H-quinazoline-7-carboxylate Openeye Name: methyl 4-oxo-3-[2-(2-thienyl)ethyl]-2-thioxo-1H-quinazoline-7-carboxylate CAS Name: 4-oxo-2-sulfanylidene-3-(2-thiophen-2-ylethyl)-1H-quinazoline-7-carboxylic acid methyl ester IUPAC Name: methyl 4-oxo-2-sulfanylidene-3-(2-thiophen-2-ylethyl)-1H-quinazoline-7-carboxylate Traditional Name: 4-keto-3-[2-(2-thienyl)ethyl]-2-thioxo-1H-quinazoline-7-carboxylic acid methyl ester Formula: C16H14N2O3S2 MolecularWeight: 346.42396

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)C(=O)N(C(=S)N2)CCC3=CC=CS3

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)C(=O)N(C(=S)N2)CCC3=CC=CS3

InChI

InChI=1S/C16H14N2O3S2/c1-21-15(20)10-4-5-12-13(9-10)17-16(22)18(14(12)19)7-6-11-3-2-8-23-11/h2-5,8-9H,6-7H2,1H3,(H,17,22)