3-[2-[(5-chloranyl-1,3-benzothiazol-2-yl)sulfanyl]ethanoylamino]-4-methyl-benzoate

Systemtic Name: 3-[2-[(5-chloranyl-1,3-benzothiazol-2-yl)sulfanyl]ethanoylamino]-4-methyl-benzoate Openeye Name: 3-[[2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]acetyl]amino]-4-methyl-benzoate CAS Name: 3-[[2-[(5-chloro-1,3-benzothiazol-2-yl)thio]-1-oxoethyl]amino]-4-methylbenzoate IUPAC Name: 3-[[2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]acetyl]amino]-4-methylbenzoate Traditional Name: 3-[[2-[(5-chloro-1,3-benzothiazol-2-yl)thio]acetyl]amino]-4-methyl-benzoate Formula: C17H12ClN2O3S2- MolecularWeight: 391.87178

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)[O-])NC(=O)CSC2=NC3=C(S2)C=CC(=C3)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)[O-])NC(=O)CSC2=NC3=C(S2)C=CC(=C3)Cl

InChI

InChI=1S/C17H13ClN2O3S2/c1-9-2-3-10(16(22)23)6-12(9)19-15(21)8-24-17-20-13-7-11(18)4-5-14(13)25-17/h2-7H,8H2,1H3,(H,19,21)(H,22,23)/p-1