methyl 3-[2-[2-[(6-methyl-1,3-benzothiazol-2-yl)amino]-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-quinazolin-3-yl]propanoate

Systemtic Name: methyl 3-[2-[2-[(6-methyl-1,3-benzothiazol-2-yl)amino]-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-quinazolin-3-yl]propanoate Openeye Name: methyl 3-[2-[2-[(6-methyl-1,3-benzothiazol-2-yl)amino]-2-oxo-ethyl]sulfanyl-4-oxo-quinazolin-3-yl]propanoate CAS Name: 3-[2-[[2-[(6-methyl-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]thio]-4-oxo-3-quinazolinyl]propanoic acid methyl ester IUPAC Name: methyl 3-[2-[2-[(6-methyl-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]sulfanyl-4-oxoquinazolin-3-yl]propanoate Traditional Name: 3-[4-keto-2-[[2-keto-2-[(6-methyl-1,3-benzothiazol-2-yl)amino]ethyl]thio]quinazolin-3-yl]propionic acid methyl ester Formula: C22H20N4O4S2 MolecularWeight: 468.5486

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(S2)NC(=O)CSC3=NC4=CC=CC=C4C(=O)N3CCC(=O)OC

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)NC(=O)CSC3=NC4=CC=CC=C4C(=O)N3CCC(=O)OC

InChI

InChI=1S/C22H20N4O4S2/c1-13-7-8-16-17(11-13)32-21(23-16)25-18(27)12-31-22-24-15-6-4-3-5-14(15)20(29)26(22)10-9-19(28)30-2/h3-8,11H,9-10,12H2,1-2H3,(H,23,25,27)