[4-[2-(1,3-benzothiazol-2-ylsulfanyl)ethanoyl]phenyl] 4-methylbenzoate

Systemtic Name: [4-[2-(1,3-benzothiazol-2-ylsulfanyl)ethanoyl]phenyl] 4-methylbenzoate Openeye Name: [4-[2-(1,3-benzothiazol-2-ylsulfanyl)acetyl]phenyl] 4-methylbenzoate CAS Name: 4-methylbenzoic acid [4-[2-(1,3-benzothiazol-2-ylthio)-1-oxoethyl]phenyl] ester IUPAC Name: [4-[2-(1,3-benzothiazol-2-ylsulfanyl)acetyl]phenyl] 4-methylbenzoate Traditional Name: 4-methylbenzoic acid [4-[2-(1,3-benzothiazol-2-ylthio)acetyl]phenyl] ester Formula: C23H17NO3S2 MolecularWeight: 419.51598

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C(=O)CSC3=NC4=CC=CC=C4S3

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C(=O)CSC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C23H17NO3S2/c1-15-6-8-17(9-7-15)22(26)27-18-12-10-16(11-13-18)20(25)14-28-23-24-19-4-2-3-5-21(19)29-23/h2-13H,14H2,1H3