S-[3-[[3,4-bis(oxidanyl)phenyl]carbonylcarbamoyl]-4-methyl-naphthalen-2-yl] ethanethioate

Systemtic Name: S-[3-[[3,4-bis(oxidanyl)phenyl]carbonylcarbamoyl]-4-methyl-naphthalen-2-yl] ethanethioate Openeye Name: S-[3-[(3,4-dihydroxybenzoyl)carbamoyl]-4-methyl-2-naphthyl] ethanethioate CAS Name: ethanethioic acid S-[3-[[[(3,4-dihydroxyphenyl)-oxomethyl]amino]-oxomethyl]-4-methyl-2-naphthalenyl] ester IUPAC Name: S-[3-[(3,4-dihydroxybenzoyl)carbamoyl]-4-methylnaphthalen-2-yl] ethanethioate Traditional Name: ethanethioic acid S-[4-methyl-3-(protocatechuoylcarbamoyl)-2-naphthyl] ester Formula: C21H17NO5S MolecularWeight: 395.42838

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC2=CC=CC=C12)SC(=O)C)C(=O)NC(=O)C3=CC(=C(C=C3)O)O

Isomeric SMILES

CC1=C(C(=CC2=CC=CC=C12)SC(=O)C)C(=O)NC(=O)C3=CC(=C(C=C3)O)O

InChI

InChI=1S/C21H17NO5S/c1-11-15-6-4-3-5-13(15)10-18(28-12(2)23)19(11)21(27)22-20(26)14-7-8-16(24)17(25)9-14/h3-10,24-25H,1-2H3,(H,22,26,27)