methyl 3-[3-(1,3-benzothiazol-2-ylsulfanyl)propanoylamino]-4-methyl-benzoate

Systemtic Name: methyl 3-[3-(1,3-benzothiazol-2-ylsulfanyl)propanoylamino]-4-methyl-benzoate Openeye Name: methyl 3-[3-(1,3-benzothiazol-2-ylsulfanyl)propanoylamino]-4-methyl-benzoate CAS Name: 3-[[3-(1,3-benzothiazol-2-ylthio)-1-oxopropyl]amino]-4-methylbenzoic acid methyl ester IUPAC Name: methyl 3-[3-(1,3-benzothiazol-2-ylsulfanyl)propanoylamino]-4-methylbenzoate Traditional Name: 3-[3-(1,3-benzothiazol-2-ylthio)propanoylamino]-4-methyl-benzoic acid methyl ester Formula: C19H18N2O3S2 MolecularWeight: 386.48782

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)CCSC2=NC3=CC=CC=C3S2

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)CCSC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C19H18N2O3S2/c1-12-7-8-13(18(23)24-2)11-15(12)20-17(22)9-10-25-19-21-14-5-3-4-6-16(14)26-19/h3-8,11H,9-10H2,1-2H3,(H,20,22)