3-[4-[(3-chloranyl-2-oxidanylidene-4-thiophen-2-yl-azetidin-1-yl)carbamoyl]phenyl]-2-methyl-4-oxidanylidene-quinazoline-6-sulfonic acid

Systemtic Name: 3-[4-[(3-chloranyl-2-oxidanylidene-4-thiophen-2-yl-azetidin-1-yl)carbamoyl]phenyl]-2-methyl-4-oxidanylidene-quinazoline-6-sulfonic acid Openeye Name: 3-[4-[[3-chloro-2-oxo-4-(2-thienyl)azetidin-1-yl]carbamoyl]phenyl]-2-methyl-4-oxo-quinazoline-6-sulfonic acid CAS Name: 3-[4-[[(3-chloro-2-oxo-4-thiophen-2-yl-1-azetidinyl)amino]-oxomethyl]phenyl]-2-methyl-4-oxo-6-quinazolinesulfonic acid IUPAC Name: 3-[4-[(3-chloro-2-oxo-4-thiophen-2-ylazetidin-1-yl)carbamoyl]phenyl]-2-methyl-4-oxoquinazoline-6-sulfonic acid Traditional Name: 3-[4-[[3-chloro-2-keto-4-(2-thienyl)azetidin-1-yl]carbamoyl]phenyl]-4-keto-2-methyl-quinazoline-6-sulfonic acid Formula: C23H17ClN4O6S2 MolecularWeight: 544.98728

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=C(C=C2)S(=O)(=O)O)C(=O)N1C3=CC=C(C=C3)C(=O)NN4C(C(C4=O)Cl)C5=CC=CS5

Isomeric SMILES

CC1=NC2=C(C=C(C=C2)S(=O)(=O)O)C(=O)N1C3=CC=C(C=C3)C(=O)NN4C(C(C4=O)Cl)C5=CC=CS5

InChI

InChI=1S/C23H17ClN4O6S2/c1-12-25-17-9-8-15(36(32,33)34)11-16(17)22(30)27(12)14-6-4-13(5-7-14)21(29)26-28-20(19(24)23(28)31)18-3-2-10-35-18/h2-11,19-20H,1H3,(H,26,29)(H,32,33,34)