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

Systemtic Name: methyl 3-[2-(1,3-benzothiazol-2-ylsulfanyl)ethanoylamino]-4-methyl-benzoate Openeye Name: methyl 3-[[2-(1,3-benzothiazol-2-ylsulfanyl)acetyl]amino]-4-methyl-benzoate CAS Name: 3-[[2-(1,3-benzothiazol-2-ylthio)-1-oxoethyl]amino]-4-methylbenzoic acid methyl ester IUPAC Name: methyl 3-[[2-(1,3-benzothiazol-2-ylsulfanyl)acetyl]amino]-4-methylbenzoate Traditional Name: 3-[[2-(1,3-benzothiazol-2-ylthio)acetyl]amino]-4-methyl-benzoic acid methyl ester Formula: C18H16N2O3S2 MolecularWeight: 372.46124

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)CSC2=NC3=CC=CC=C3S2

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)CSC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C18H16N2O3S2/c1-11-7-8-12(17(22)23-2)9-14(11)19-16(21)10-24-18-20-13-5-3-4-6-15(13)25-18/h3-9H,10H2,1-2H3,(H,19,21)