methyl 2-[[5-(1,3-benzothiazol-2-yl)thiophen-2-yl]carbonylamino]-1,3-benzothiazole-6-carboxylate

Systemtic Name: methyl 2-[[5-(1,3-benzothiazol-2-yl)thiophen-2-yl]carbonylamino]-1,3-benzothiazole-6-carboxylate Openeye Name: methyl 2-[[5-(1,3-benzothiazol-2-yl)thiophene-2-carbonyl]amino]-1,3-benzothiazole-6-carboxylate CAS Name: 2-[[[5-(1,3-benzothiazol-2-yl)-2-thiophenyl]-oxomethyl]amino]-1,3-benzothiazole-6-carboxylic acid methyl ester IUPAC Name: methyl 2-[[5-(1,3-benzothiazol-2-yl)thiophene-2-carbonyl]amino]-1,3-benzothiazole-6-carboxylate Traditional Name: 2-[[5-(1,3-benzothiazol-2-yl)thiophene-2-carbonyl]amino]-1,3-benzothiazole-6-carboxylic acid methyl ester Formula: C21H13N3O3S3 MolecularWeight: 451.54122

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)C3=CC=C(S3)C4=NC5=CC=CC=C5S4

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)C3=CC=C(S3)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C21H13N3O3S3/c1-27-20(26)11-6-7-13-17(10-11)30-21(23-13)24-18(25)15-8-9-16(28-15)19-22-12-4-2-3-5-14(12)29-19/h2-10H,1H3,(H,23,24,25)