[2-oxidanylidene-2-(thiophen-2-ylmethylamino)ethyl] 4-[5-azanyl-4-(1,3-benzothiazol-2-yl)-3-oxidanylidene-2H-pyrrol-1-yl]benzoate

Systemtic Name: [2-oxidanylidene-2-(thiophen-2-ylmethylamino)ethyl] 4-[5-azanyl-4-(1,3-benzothiazol-2-yl)-3-oxidanylidene-2H-pyrrol-1-yl]benzoate Openeye Name: [2-oxo-2-(2-thienylmethylamino)ethyl] 4-[5-amino-4-(1,3-benzothiazol-2-yl)-3-oxo-2H-pyrrol-1-yl]benzoate CAS Name: 4-[5-amino-4-(1,3-benzothiazol-2-yl)-3-oxo-2H-pyrrol-1-yl]benzoic acid [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] ester IUPAC Name: [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 4-[5-amino-4-(1,3-benzothiazol-2-yl)-3-oxo-2H-pyrrol-1-yl]benzoate Traditional Name: 4-[2-amino-3-(1,3-benzothiazol-2-yl)-4-keto-2-pyrrolin-1-yl]benzoic acid [2-keto-2-(2-thenylamino)ethyl] ester Formula: C25H20N4O4S2 MolecularWeight: 504.5807

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)C(=C(N1C2=CC=C(C=C2)C(=O)OCC(=O)NCC3=CC=CS3)N)C4=NC5=CC=CC=C5S4

Isomeric SMILES

C1C(=O)C(=C(N1C2=CC=C(C=C2)C(=O)OCC(=O)NCC3=CC=CS3)N)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C25H20N4O4S2/c26-23-22(24-28-18-5-1-2-6-20(18)35-24)19(30)13-29(23)16-9-7-15(8-10-16)25(32)33-14-21(31)27-12-17-4-3-11-34-17/h1-11H,12-14,26H2,(H,27,31)