methyl 3-[(4-oxidanylidene-3-prop-2-enyl-2-sulfanylidene-1H-quinazolin-7-yl)carbonylamino]-3-thiophen-2-yl-propanoate

Systemtic Name: methyl 3-[(4-oxidanylidene-3-prop-2-enyl-2-sulfanylidene-1H-quinazolin-7-yl)carbonylamino]-3-thiophen-2-yl-propanoate Openeye Name: methyl 3-[(3-allyl-4-oxo-2-thioxo-1H-quinazoline-7-carbonyl)amino]-3-(2-thienyl)propanoate CAS Name: 3-[[oxo-(4-oxo-3-prop-2-enyl-2-sulfanylidene-1H-quinazolin-7-yl)methyl]amino]-3-thiophen-2-ylpropanoic acid methyl ester IUPAC Name: methyl 3-[(4-oxo-3-prop-2-enyl-2-sulfanylidene-1H-quinazoline-7-carbonyl)amino]-3-thiophen-2-ylpropanoate Traditional Name: 3-[(3-allyl-4-keto-2-thioxo-1H-quinazoline-7-carbonyl)amino]-3-(2-thienyl)propionic acid methyl ester Formula: C20H19N3O4S2 MolecularWeight: 429.51256

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC(C1=CC=CS1)NC(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)CC=C

Isomeric SMILES

COC(=O)CC(C1=CC=CS1)NC(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)CC=C

InChI

InChI=1S/C20H19N3O4S2/c1-3-8-23-19(26)13-7-6-12(10-14(13)22-20(23)28)18(25)21-15(11-17(24)27-2)16-5-4-9-29-16/h3-7,9-10,15H,1,8,11H2,2H3,(H,21,25)(H,22,28)