[2-[ethyl-[2-oxidanylidene-2-(thiophen-2-ylmethylamino)ethyl]amino]-2-oxidanylidene-ethyl] 4-pyrrol-1-ylbenzoate

Systemtic Name: [2-[ethyl-[2-oxidanylidene-2-(thiophen-2-ylmethylamino)ethyl]amino]-2-oxidanylidene-ethyl] 4-pyrrol-1-ylbenzoate Openeye Name: [2-[ethyl-[2-oxo-2-(2-thienylmethylamino)ethyl]amino]-2-oxo-ethyl] 4-pyrrol-1-ylbenzoate CAS Name: 4-(1-pyrrolyl)benzoic acid [2-[ethyl-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[ethyl-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]amino]-2-oxoethyl] 4-pyrrol-1-ylbenzoate Traditional Name: 4-pyrrol-1-ylbenzoic acid [2-[ethyl-[2-keto-2-(2-thenylamino)ethyl]amino]-2-keto-ethyl] ester Formula: C22H23N3O4S MolecularWeight: 425.50072

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC(=O)NCC1=CC=CS1)C(=O)COC(=O)C2=CC=C(C=C2)N3C=CC=C3

Isomeric SMILES

CCN(CC(=O)NCC1=CC=CS1)C(=O)COC(=O)C2=CC=C(C=C2)N3C=CC=C3

InChI

InChI=1S/C22H23N3O4S/c1-2-24(15-20(26)23-14-19-6-5-13-30-19)21(27)16-29-22(28)17-7-9-18(10-8-17)25-11-3-4-12-25/h3-13H,2,14-16H2,1H3,(H,23,26)