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

Systemtic Name: ethyl 3-[(2-pyrrol-1-yl-1,3-benzothiazol-6-yl)carbonylamino]benzoate Openeye Name: ethyl 3-[(2-pyrrol-1-yl-1,3-benzothiazole-6-carbonyl)amino]benzoate CAS Name: 3-[[oxo-[2-(1-pyrrolyl)-1,3-benzothiazol-6-yl]methyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[(2-pyrrol-1-yl-1,3-benzothiazole-6-carbonyl)amino]benzoate Traditional Name: 3-[(2-pyrrol-1-yl-1,3-benzothiazole-6-carbonyl)amino]benzoic acid ethyl ester Formula: C21H17N3O3S MolecularWeight: 391.44298

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H17N3O3S/c1-2-27-20(26)15-6-5-7-16(12-15)22-19(25)14-8-9-17-18(13-14)28-21(23-17)24-10-3-4-11-24/h3-13H,2H2,1H3,(H,22,25)