methyl 4-[[[5-(1,3-benzothiazol-2-yl)thiophen-2-yl]carbonylamino]methyl]benzoate

Systemtic Name: methyl 4-[[[5-(1,3-benzothiazol-2-yl)thiophen-2-yl]carbonylamino]methyl]benzoate Openeye Name: methyl 4-[[[5-(1,3-benzothiazol-2-yl)thiophene-2-carbonyl]amino]methyl]benzoate CAS Name: 4-[[[[5-(1,3-benzothiazol-2-yl)-2-thiophenyl]-oxomethyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[[5-(1,3-benzothiazol-2-yl)thiophene-2-carbonyl]amino]methyl]benzoate Traditional Name: 4-[[[5-(1,3-benzothiazol-2-yl)thiophene-2-carbonyl]amino]methyl]benzoic acid methyl ester Formula: C21H16N2O3S2 MolecularWeight: 408.49334

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CNC(=O)C2=CC=C(S2)C3=NC4=CC=CC=C4S3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CNC(=O)C2=CC=C(S2)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C21H16N2O3S2/c1-26-21(25)14-8-6-13(7-9-14)12-22-19(24)17-10-11-18(27-17)20-23-15-4-2-3-5-16(15)28-20/h2-11H,12H2,1H3,(H,22,24)