1,3-benzothiazol-2-ylmethyl 3-(1H-indol-3-yl)-2-(thiophen-2-ylcarbonylamino)propanoate

Systemtic Name: 1,3-benzothiazol-2-ylmethyl 3-(1H-indol-3-yl)-2-(thiophen-2-ylcarbonylamino)propanoate Openeye Name: 1,3-benzothiazol-2-ylmethyl 3-(1H-indol-3-yl)-2-(thiophene-2-carbonylamino)propanoate CAS Name: 3-(1H-indol-3-yl)-2-[[oxo(thiophen-2-yl)methyl]amino]propanoic acid 1,3-benzothiazol-2-ylmethyl ester IUPAC Name: 1,3-benzothiazol-2-ylmethyl 3-(1H-indol-3-yl)-2-(thiophene-2-carbonylamino)propanoate Traditional Name: 3-(1H-indol-3-yl)-2-(2-thenoylamino)propionic acid 1,3-benzothiazol-2-ylmethyl ester Formula: C24H19N3O3S2 MolecularWeight: 461.55596

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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=CS5

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2)CC(C(=O)OCC3=NC4=CC=CC=C4S3)NC(=O)C5=CC=CS5

InChI

InChI=1S/C24H19N3O3S2/c28-23(21-10-5-11-31-21)27-19(12-15-13-25-17-7-2-1-6-16(15)17)24(29)30-14-22-26-18-8-3-4-9-20(18)32-22/h1-11,13,19,25H,12,14H2,(H,27,28)