4-[(7-methyl-[1,3]dioxolo[4,5-g]quinolin-6-yl)-sulfanyl-methyl]-1H-quinolin-2-one

Systemtic Name: 4-[(7-methyl-[1,3]dioxolo[4,5-g]quinolin-6-yl)-sulfanyl-methyl]-1H-quinolin-2-one Openeye Name: 4-[(7-methyl-[1,3]dioxolo[4,5-g]quinolin-6-yl)-sulfanyl-methyl]-1H-quinolin-2-one CAS Name: 4-[mercapto-(7-methyl-[1,3]dioxolo[4,5-g]quinolin-6-yl)methyl]-1H-quinolin-2-one IUPAC Name: 4-[(7-methyl-[1,3]dioxolo[4,5-g]quinolin-6-yl)-sulfanylmethyl]-1H-quinolin-2-one Traditional Name: 4-[mercapto-(7-methyl-[1,3]dioxolo[4,5-g]quinolin-6-yl)methyl]carbostyril Formula: C21H16N2O3S MolecularWeight: 376.42834

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C2C=C3C(=CC2=C1)OCO3)C(C4=CC(=O)NC5=CC=CC=C54)S

Isomeric SMILES

CC1=C(N=C2C=C3C(=CC2=C1)OCO3)C(C4=CC(=O)NC5=CC=CC=C54)S

InChI

InChI=1S/C21H16N2O3S/c1-11-6-12-7-17-18(26-10-25-17)9-16(12)23-20(11)21(27)14-8-19(24)22-15-5-3-2-4-13(14)15/h2-9,21,27H,10H2,1H3,(H,22,24)