methyl 4-[2-[(6-methyl-1,3-benzothiazol-2-yl)sulfanyl]ethanoylamino]benzoate

Systemtic Name: methyl 4-[2-[(6-methyl-1,3-benzothiazol-2-yl)sulfanyl]ethanoylamino]benzoate Openeye Name: methyl 4-[[2-[(6-methyl-1,3-benzothiazol-2-yl)sulfanyl]acetyl]amino]benzoate CAS Name: 4-[[2-[(6-methyl-1,3-benzothiazol-2-yl)thio]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-[(6-methyl-1,3-benzothiazol-2-yl)sulfanyl]acetyl]amino]benzoate Traditional Name: 4-[[2-[(6-methyl-1,3-benzothiazol-2-yl)thio]acetyl]amino]benzoic acid methyl ester Formula: C18H16N2O3S2 MolecularWeight: 372.46124

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(S2)SCC(=O)NC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)SCC(=O)NC3=CC=C(C=C3)C(=O)OC

InChI

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