methyl 3-phenyl-2-[(2-pyrrol-1-yl-1,3-benzothiazol-6-yl)carbonylamino]propanoate

Systemtic Name: methyl 3-phenyl-2-[(2-pyrrol-1-yl-1,3-benzothiazol-6-yl)carbonylamino]propanoate Openeye Name: methyl 3-phenyl-2-[(2-pyrrol-1-yl-1,3-benzothiazole-6-carbonyl)amino]propanoate CAS Name: 2-[[oxo-[2-(1-pyrrolyl)-1,3-benzothiazol-6-yl]methyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl 3-phenyl-2-[(2-pyrrol-1-yl-1,3-benzothiazole-6-carbonyl)amino]propanoate Traditional Name: 3-phenyl-2-[(2-pyrrol-1-yl-1,3-benzothiazole-6-carbonyl)amino]propionic acid methyl ester Formula: C22H19N3O3S MolecularWeight: 405.46956

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC=CC=C1)NC(=O)C2=CC3=C(C=C2)N=C(S3)N4C=CC=C4

Isomeric SMILES

COC(=O)C(CC1=CC=CC=C1)NC(=O)C2=CC3=C(C=C2)N=C(S3)N4C=CC=C4

InChI

InChI=1S/C22H19N3O3S/c1-28-21(27)18(13-15-7-3-2-4-8-15)23-20(26)16-9-10-17-19(14-16)29-22(24-17)25-11-5-6-12-25/h2-12,14,18H,13H2,1H3,(H,23,26)