methyl 4-oxidanylidene-2-(pyrrolidin-1-ylcarbothioylsulfanylmethyl)-1H-quinazoline-7-carboxylate

Systemtic Name: methyl 4-oxidanylidene-2-(pyrrolidin-1-ylcarbothioylsulfanylmethyl)-1H-quinazoline-7-carboxylate Openeye Name: methyl 4-oxo-2-(pyrrolidine-1-carbothioylsulfanylmethyl)-1H-quinazoline-7-carboxylate CAS Name: 4-oxo-2-[[[1-pyrrolidinyl(sulfanylidene)methyl]thio]methyl]-1H-quinazoline-7-carboxylic acid methyl ester IUPAC Name: methyl 4-oxo-2-(pyrrolidine-1-carbothioylsulfanylmethyl)-1H-quinazoline-7-carboxylate Traditional Name: 4-keto-2-[(pyrrolidine-1-carbothioylthio)methyl]-1H-quinazoline-7-carboxylic acid methyl ester Formula: C16H17N3O3S2 MolecularWeight: 363.45448

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)C(=O)N=C(N2)CSC(=S)N3CCCC3

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)C(=O)N=C(N2)CSC(=S)N3CCCC3

InChI

InChI=1S/C16H17N3O3S2/c1-22-15(21)10-4-5-11-12(8-10)17-13(18-14(11)20)9-24-16(23)19-6-2-3-7-19/h4-5,8H,2-3,6-7,9H2,1H3,(H,17,18,20)