methyl 2-[[(E)-3-(1,3-benzothiazol-2-yl)prop-2-enoyl]oxymethyl]-4-oxidanylidene-1H-quinazoline-7-carboxylate

Systemtic Name: methyl 2-[[(E)-3-(1,3-benzothiazol-2-yl)prop-2-enoyl]oxymethyl]-4-oxidanylidene-1H-quinazoline-7-carboxylate Openeye Name: methyl 2-[[(E)-3-(1,3-benzothiazol-2-yl)prop-2-enoyl]oxymethyl]-4-oxo-1H-quinazoline-7-carboxylate CAS Name: 2-[[(E)-3-(1,3-benzothiazol-2-yl)-1-oxoprop-2-enoxy]methyl]-4-oxo-1H-quinazoline-7-carboxylic acid methyl ester IUPAC Name: methyl 2-[[(E)-3-(1,3-benzothiazol-2-yl)prop-2-enoyl]oxymethyl]-4-oxo-1H-quinazoline-7-carboxylate Traditional Name: 2-[[(E)-3-(1,3-benzothiazol-2-yl)acryloyl]oxymethyl]-4-keto-1H-quinazoline-7-carboxylic acid methyl ester Formula: C21H15N3O5S MolecularWeight: 421.4259

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)C(=O)N=C(N2)COC(=O)C=CC3=NC4=CC=CC=C4S3

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)C(=O)N=C(N2)COC(=O)/C=C/C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C21H15N3O5S/c1-28-21(27)12-6-7-13-15(10-12)22-17(24-20(13)26)11-29-19(25)9-8-18-23-14-4-2-3-5-16(14)30-18/h2-10H,11H2,1H3,(H,22,24,26)/b9-8+