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

Systemtic Name: methyl 2-[[6-[(3-cyanophenyl)carbonylamino]-1,3-benzothiazol-2-yl]sulfanyl]ethanoate Openeye Name: methyl 2-[[6-[(3-cyanobenzoyl)amino]-1,3-benzothiazol-2-yl]sulfanyl]acetate CAS Name: 2-[[6-[[(3-cyanophenyl)-oxomethyl]amino]-1,3-benzothiazol-2-yl]thio]acetic acid methyl ester IUPAC Name: methyl 2-[[6-[(3-cyanobenzoyl)amino]-1,3-benzothiazol-2-yl]sulfanyl]acetate Traditional Name: 2-[[6-[(3-cyanobenzoyl)amino]-1,3-benzothiazol-2-yl]thio]acetic acid methyl ester Formula: C18H13N3O3S2 MolecularWeight: 383.44412

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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(=C3)C#N

Isomeric SMILES

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

InChI

InChI=1S/C18H13N3O3S2/c1-24-16(22)10-25-18-21-14-6-5-13(8-15(14)26-18)20-17(23)12-4-2-3-11(7-12)9-19/h2-8H,10H2,1H3,(H,20,23)