(3S)-7-chloranyl-3-methyl-1-oxidanylidene-N-[3-(2-oxidanylidenepropyl)-1,2,4-thiadiazol-5-yl]-4H-isochromene-3-carboxamide

Systemtic Name: (3S)-7-chloranyl-3-methyl-1-oxidanylidene-N-[3-(2-oxidanylidenepropyl)-1,2,4-thiadiazol-5-yl]-4H-isochromene-3-carboxamide Openeye Name: (3S)-N-(3-acetonyl-1,2,4-thiadiazol-5-yl)-7-chloro-3-methyl-1-oxo-isochromane-3-carboxamide CAS Name: (3S)-7-chloro-3-methyl-1-oxo-N-[3-(2-oxopropyl)-1,2,4-thiadiazol-5-yl]-3,4-dihydro-1H-2-benzopyran-3-carboxamide IUPAC Name: (3S)-7-chloro-3-methyl-1-oxo-N-[3-(2-oxopropyl)-1,2,4-thiadiazol-5-yl]-4H-isochromene-3-carboxamide Traditional Name: (3S)-N-(3-acetonyl-1,2,4-thiadiazol-5-yl)-7-chloro-1-keto-3-methyl-isochroman-3-carboxamide Formula: C16H14ClN3O4S MolecularWeight: 379.81806

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC1=NSC(=N1)NC(=O)C2(CC3=C(C=C(C=C3)Cl)C(=O)O2)C

Isomeric SMILES

CC(=O)CC1=NSC(=N1)NC(=O)[C@@]2(CC3=C(C=C(C=C3)Cl)C(=O)O2)C

InChI

InChI=1S/C16H14ClN3O4S/c1-8(21)5-12-18-15(25-20-12)19-14(23)16(2)7-9-3-4-10(17)6-11(9)13(22)24-16/h3-4,6H,5,7H2,1-2H3,(H,18,19,20,23)/t16-/m0/s1