ethyl (E)-3-[4-[2-(3,6-dimethyl-4-oxidanylidene-quinazolin-2-yl)sulfanylethanoylamino]phenyl]prop-2-enoate

Systemtic Name: ethyl (E)-3-[4-[2-(3,6-dimethyl-4-oxidanylidene-quinazolin-2-yl)sulfanylethanoylamino]phenyl]prop-2-enoate Openeye Name: ethyl (E)-3-[4-[[2-(3,6-dimethyl-4-oxo-quinazolin-2-yl)sulfanylacetyl]amino]phenyl]prop-2-enoate CAS Name: (E)-3-[4-[[2-[(3,6-dimethyl-4-oxo-2-quinazolinyl)thio]-1-oxoethyl]amino]phenyl]-2-propenoic acid ethyl ester IUPAC Name: ethyl (E)-3-[4-[[2-(3,6-dimethyl-4-oxoquinazolin-2-yl)sulfanylacetyl]amino]phenyl]prop-2-enoate Traditional Name: (E)-3-[4-[[2-[(4-keto-3,6-dimethyl-quinazolin-2-yl)thio]acetyl]amino]phenyl]acrylic acid ethyl ester Formula: C23H23N3O4S MolecularWeight: 437.51142

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=CC1=CC=C(C=C1)NC(=O)CSC2=NC3=C(C=C(C=C3)C)C(=O)N2C

Isomeric SMILES

CCOC(=O)/C=C/C1=CC=C(C=C1)NC(=O)CSC2=NC3=C(C=C(C=C3)C)C(=O)N2C

InChI

InChI=1S/C23H23N3O4S/c1-4-30-21(28)12-8-16-6-9-17(10-7-16)24-20(27)14-31-23-25-19-11-5-15(2)13-18(19)22(29)26(23)3/h5-13H,4,14H2,1-3H3,(H,24,27)/b12-8+