methyl 4-oxidanylidene-2-[[5-(prop-2-enylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-1H-quinazoline-7-carboxylate

Systemtic Name: methyl 4-oxidanylidene-2-[[5-(prop-2-enylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-1H-quinazoline-7-carboxylate Openeye Name: methyl 2-[[5-(allylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-4-oxo-1H-quinazoline-7-carboxylate CAS Name: 4-oxo-2-[[[5-(prop-2-enylamino)-1,3,4-thiadiazol-2-yl]thio]methyl]-1H-quinazoline-7-carboxylic acid methyl ester IUPAC Name: methyl 4-oxo-2-[[5-(prop-2-enylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-1H-quinazoline-7-carboxylate Traditional Name: 2-[[[5-(allylamino)-1,3,4-thiadiazol-2-yl]thio]methyl]-4-keto-1H-quinazoline-7-carboxylic acid methyl ester Formula: C16H15N5O3S2 MolecularWeight: 389.452

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)C(=O)N=C(N2)CSC3=NN=C(S3)NCC=C

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)C(=O)N=C(N2)CSC3=NN=C(S3)NCC=C

InChI

InChI=1S/C16H15N5O3S2/c1-3-6-17-15-20-21-16(26-15)25-8-12-18-11-7-9(14(23)24-2)4-5-10(11)13(22)19-12/h3-5,7H,1,6,8H2,2H3,(H,17,20)(H,18,19,22)