1,3-benzothiazol-2-ylmethyl 2-[(2-chlorophenyl)carbonylamino]-3-(1H-indol-3-yl)propanoate

Systemtic Name: 1,3-benzothiazol-2-ylmethyl 2-[(2-chlorophenyl)carbonylamino]-3-(1H-indol-3-yl)propanoate Openeye Name: 1,3-benzothiazol-2-ylmethyl 2-[(2-chlorobenzoyl)amino]-3-(1H-indol-3-yl)propanoate CAS Name: 2-[[(2-chlorophenyl)-oxomethyl]amino]-3-(1H-indol-3-yl)propanoic acid 1,3-benzothiazol-2-ylmethyl ester IUPAC Name: 1,3-benzothiazol-2-ylmethyl 2-[(2-chlorobenzoyl)amino]-3-(1H-indol-3-yl)propanoate Traditional Name: 2-[(2-chlorobenzoyl)amino]-3-(1H-indol-3-yl)propionic acid 1,3-benzothiazol-2-ylmethyl ester Formula: C26H20ClN3O3S MolecularWeight: 489.9733

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN2)CC(C(=O)OCC3=NC4=CC=CC=C4S3)NC(=O)C5=CC=CC=C5Cl

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2)CC(C(=O)OCC3=NC4=CC=CC=C4S3)NC(=O)C5=CC=CC=C5Cl

InChI

InChI=1S/C26H20ClN3O3S/c27-19-9-3-1-8-18(19)25(31)30-22(13-16-14-28-20-10-4-2-7-17(16)20)26(32)33-15-24-29-21-11-5-6-12-23(21)34-24/h1-12,14,22,28H,13,15H2,(H,30,31)