ethyl (E)-3-[4-[(3-ethyl-4-oxidanylidene-2-sulfanylidene-1H-quinazolin-7-yl)carbonylamino]phenyl]prop-2-enoate

Systemtic Name: ethyl (E)-3-[4-[(3-ethyl-4-oxidanylidene-2-sulfanylidene-1H-quinazolin-7-yl)carbonylamino]phenyl]prop-2-enoate Openeye Name: ethyl (E)-3-[4-[(3-ethyl-4-oxo-2-thioxo-1H-quinazoline-7-carbonyl)amino]phenyl]prop-2-enoate CAS Name: (E)-3-[4-[[(3-ethyl-4-oxo-2-sulfanylidene-1H-quinazolin-7-yl)-oxomethyl]amino]phenyl]-2-propenoic acid ethyl ester IUPAC Name: ethyl (E)-3-[4-[(3-ethyl-4-oxo-2-sulfanylidene-1H-quinazoline-7-carbonyl)amino]phenyl]prop-2-enoate Traditional Name: (E)-3-[4-[(3-ethyl-4-keto-2-thioxo-1H-quinazoline-7-carbonyl)amino]phenyl]acrylic acid ethyl ester Formula: C22H21N3O4S MolecularWeight: 423.48484

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=C(C=C(C=C2)C(=O)NC3=CC=C(C=C3)C=CC(=O)OCC)NC1=S

Isomeric SMILES

CCN1C(=O)C2=C(C=C(C=C2)C(=O)NC3=CC=C(C=C3)/C=C/C(=O)OCC)NC1=S

InChI

InChI=1S/C22H21N3O4S/c1-3-25-21(28)17-11-8-15(13-18(17)24-22(25)30)20(27)23-16-9-5-14(6-10-16)7-12-19(26)29-4-2/h5-13H,3-4H2,1-2H3,(H,23,27)(H,24,30)/b12-7+