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

Systemtic Name: methyl 2-[2-[[(E)-3-(4-sulfanylidene-1H-quinazolin-2-yl)prop-2-enoyl]amino]ethanoylamino]ethanoate Openeye Name: methyl 2-[[2-[[(E)-3-(4-thioxo-1H-quinazolin-2-yl)prop-2-enoyl]amino]acetyl]amino]acetate CAS Name: 2-[[1-oxo-2-[[(E)-1-oxo-3-(4-sulfanylidene-1H-quinazolin-2-yl)prop-2-enyl]amino]ethyl]amino]acetic acid methyl ester IUPAC Name: methyl 2-[[2-[[(E)-3-(4-sulfanylidene-1H-quinazolin-2-yl)prop-2-enoyl]amino]acetyl]amino]acetate Traditional Name: 2-[[2-[[(E)-3-(4-thioxo-1H-quinazolin-2-yl)acryloyl]amino]acetyl]amino]acetic acid methyl ester Formula: C16H16N4O4S MolecularWeight: 360.38764

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16N4O4S/c1-24-15(23)9-18-14(22)8-17-13(21)7-6-12-19-11-5-3-2-4-10(11)16(25)20-12/h2-7H,8-9H2,1H3,(H,17,21)(H,18,22)(H,19,20,25)/b7-6+