methyl 2-[[(E)-3-(4-sulfanylidene-1H-quinazolin-2-yl)prop-2-enoyl]amino]ethanoate

Systemtic Name: methyl 2-[[(E)-3-(4-sulfanylidene-1H-quinazolin-2-yl)prop-2-enoyl]amino]ethanoate Openeye Name: methyl 2-[[(E)-3-(4-thioxo-1H-quinazolin-2-yl)prop-2-enoyl]amino]acetate CAS Name: 2-[[(E)-1-oxo-3-(4-sulfanylidene-1H-quinazolin-2-yl)prop-2-enyl]amino]acetic acid methyl ester IUPAC Name: methyl 2-[[(E)-3-(4-sulfanylidene-1H-quinazolin-2-yl)prop-2-enoyl]amino]acetate Traditional Name: 2-[[(E)-3-(4-thioxo-1H-quinazolin-2-yl)acryloyl]amino]acetic acid methyl ester Formula: C14H13N3O3S MolecularWeight: 303.33632

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CNC(=O)C=CC1=NC(=S)C2=CC=CC=C2N1

Isomeric SMILES

COC(=O)CNC(=O)/C=C/C1=NC(=S)C2=CC=CC=C2N1

InChI

InChI=1S/C14H13N3O3S/c1-20-13(19)8-15-12(18)7-6-11-16-10-5-3-2-4-9(10)14(21)17-11/h2-7H,8H2,1H3,(H,15,18)(H,16,17,21)/b7-6+