[2-(1,3-benzothiazol-2-ylamino)-2-oxidanylidene-ethyl] 3-(1H-indol-3-yl)-2-(thiophen-2-ylcarbonylamino)propanoate

Systemtic Name: [2-(1,3-benzothiazol-2-ylamino)-2-oxidanylidene-ethyl] 3-(1H-indol-3-yl)-2-(thiophen-2-ylcarbonylamino)propanoate Openeye Name: [2-(1,3-benzothiazol-2-ylamino)-2-oxo-ethyl] 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 [2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl] 3-(1H-indol-3-yl)-2-(thiophene-2-carbonylamino)propanoate Traditional Name: 3-(1H-indol-3-yl)-2-(2-thenoylamino)propionic acid [2-(1,3-benzothiazol-2-ylamino)-2-keto-ethyl] ester Formula: C25H20N4O4S2 MolecularWeight: 504.5807

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN2)CC(C(=O)OCC(=O)NC3=NC4=CC=CC=C4S3)NC(=O)C5=CC=CS5

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2)CC(C(=O)OCC(=O)NC3=NC4=CC=CC=C4S3)NC(=O)C5=CC=CS5

InChI

InChI=1S/C25H20N4O4S2/c30-22(29-25-28-18-8-3-4-9-20(18)35-25)14-33-24(32)19(27-23(31)21-10-5-11-34-21)12-15-13-26-17-7-2-1-6-16(15)17/h1-11,13,19,26H,12,14H2,(H,27,31)(H,28,29,30)