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

Systemtic Name: methyl 2-[2-[[(E)-3-(4-sulfanylidene-1H-quinazolin-2-yl)prop-2-enoyl]amino]ethanoylamino]propanoate Openeye Name: methyl 2-[[2-[[(E)-3-(4-thioxo-1H-quinazolin-2-yl)prop-2-enoyl]amino]acetyl]amino]propanoate CAS Name: 2-[[1-oxo-2-[[(E)-1-oxo-3-(4-sulfanylidene-1H-quinazolin-2-yl)prop-2-enyl]amino]ethyl]amino]propanoic acid methyl ester IUPAC Name: methyl 2-[[2-[[(E)-3-(4-sulfanylidene-1H-quinazolin-2-yl)prop-2-enoyl]amino]acetyl]amino]propanoate Traditional Name: 2-[[2-[[(E)-3-(4-thioxo-1H-quinazolin-2-yl)acryloyl]amino]acetyl]amino]propionic acid methyl ester Formula: C17H18N4O4S MolecularWeight: 374.41422

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18N4O4S/c1-10(17(24)25-2)19-15(23)9-18-14(22)8-7-13-20-12-6-4-3-5-11(12)16(26)21-13/h3-8,10H,9H2,1-2H3,(H,18,22)(H,19,23)(H,20,21,26)/b8-7+