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

Systemtic Name: methyl 3-[2-[(7-methyl-[1,3]dioxolo[4,5-g]quinolin-6-yl)sulfanyl]ethanoylamino]benzoate Openeye Name: methyl 3-[[2-[(7-methyl-[1,3]dioxolo[4,5-g]quinolin-6-yl)sulfanyl]acetyl]amino]benzoate CAS Name: 3-[[2-[(7-methyl-[1,3]dioxolo[4,5-g]quinolin-6-yl)thio]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[[2-[(7-methyl-[1,3]dioxolo[4,5-g]quinolin-6-yl)sulfanyl]acetyl]amino]benzoate Traditional Name: 3-[[2-[(7-methyl-[1,3]dioxolo[4,5-g]quinolin-6-yl)thio]acetyl]amino]benzoic acid methyl ester Formula: C21H18N2O5S MolecularWeight: 410.44302

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C2C=C3C(=CC2=C1)OCO3)SCC(=O)NC4=CC=CC(=C4)C(=O)OC

Isomeric SMILES

CC1=C(N=C2C=C3C(=CC2=C1)OCO3)SCC(=O)NC4=CC=CC(=C4)C(=O)OC

InChI

InChI=1S/C21H18N2O5S/c1-12-6-14-8-17-18(28-11-27-17)9-16(14)23-20(12)29-10-19(24)22-15-5-3-4-13(7-15)21(25)26-2/h3-9H,10-11H2,1-2H3,(H,22,24)