methyl 2-[[6-[(2-methylsulfonylphenyl)carbonylamino]-1,3-benzothiazol-2-yl]sulfanyl]ethanoate

Systemtic Name: methyl 2-[[6-[(2-methylsulfonylphenyl)carbonylamino]-1,3-benzothiazol-2-yl]sulfanyl]ethanoate Openeye Name: methyl 2-[[6-[(2-methylsulfonylbenzoyl)amino]-1,3-benzothiazol-2-yl]sulfanyl]acetate CAS Name: 2-[[6-[[(2-methylsulfonylphenyl)-oxomethyl]amino]-1,3-benzothiazol-2-yl]thio]acetic acid methyl ester IUPAC Name: methyl 2-[[6-[(2-methylsulfonylbenzoyl)amino]-1,3-benzothiazol-2-yl]sulfanyl]acetate Traditional Name: 2-[[6-[(2-mesylbenzoyl)amino]-1,3-benzothiazol-2-yl]thio]acetic acid methyl ester Formula: C18H16N2O5S3 MolecularWeight: 436.52504

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CSC1=NC2=C(S1)C=C(C=C2)NC(=O)C3=CC=CC=C3S(=O)(=O)C

Isomeric SMILES

COC(=O)CSC1=NC2=C(S1)C=C(C=C2)NC(=O)C3=CC=CC=C3S(=O)(=O)C

InChI

InChI=1S/C18H16N2O5S3/c1-25-16(21)10-26-18-20-13-8-7-11(9-14(13)27-18)19-17(22)12-5-3-4-6-15(12)28(2,23)24/h3-9H,10H2,1-2H3,(H,19,22)