2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-3-prop-2-enyl-quinazoline-7-carboxylate

Systemtic Name: 2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-3-prop-2-enyl-quinazoline-7-carboxylate Openeye Name: 3-allyl-2-[2-[(5-methylisoxazol-3-yl)amino]-2-oxo-ethyl]sulfanyl-4-oxo-quinazoline-7-carboxylate CAS Name: 2-[[2-[(5-methyl-3-isoxazolyl)amino]-2-oxoethyl]thio]-4-oxo-3-prop-2-enyl-7-quinazolinecarboxylate IUPAC Name: 2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanyl-4-oxo-3-prop-2-enylquinazoline-7-carboxylate Traditional Name: 3-allyl-4-keto-2-[[2-keto-2-[(5-methylisoxazol-3-yl)amino]ethyl]thio]quinazoline-7-carboxylate Formula: C18H15N4O5S- MolecularWeight: 399.4005

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)NC(=O)CSC2=NC3=C(C=CC(=C3)C(=O)[O-])C(=O)N2CC=C

Isomeric SMILES

CC1=CC(=NO1)NC(=O)CSC2=NC3=C(C=CC(=C3)C(=O)[O-])C(=O)N2CC=C

InChI

InChI=1S/C18H16N4O5S/c1-3-6-22-16(24)12-5-4-11(17(25)26)8-13(12)19-18(22)28-9-15(23)20-14-7-10(2)27-21-14/h3-5,7-8H,1,6,9H2,2H3,(H,25,26)(H,20,21,23)/p-1