methyl 4-[(2-pyrrol-1-yl-1,3-benzothiazol-6-yl)carbonylamino]benzoate

Systemtic Name: methyl 4-[(2-pyrrol-1-yl-1,3-benzothiazol-6-yl)carbonylamino]benzoate Openeye Name: methyl 4-[(2-pyrrol-1-yl-1,3-benzothiazole-6-carbonyl)amino]benzoate CAS Name: 4-[[oxo-[2-(1-pyrrolyl)-1,3-benzothiazol-6-yl]methyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[(2-pyrrol-1-yl-1,3-benzothiazole-6-carbonyl)amino]benzoate Traditional Name: 4-[(2-pyrrol-1-yl-1,3-benzothiazole-6-carbonyl)amino]benzoic acid methyl ester Formula: C20H15N3O3S MolecularWeight: 377.4164

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC(=O)C2=CC3=C(C=C2)N=C(S3)N4C=CC=C4

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC(=O)C2=CC3=C(C=C2)N=C(S3)N4C=CC=C4

InChI

InChI=1S/C20H15N3O3S/c1-26-19(25)13-4-7-15(8-5-13)21-18(24)14-6-9-16-17(12-14)27-20(22-16)23-10-2-3-11-23/h2-12H,1H3,(H,21,24)