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

Systemtic Name: [2-(ethylamino)-2-oxidanylidene-ethyl] 3-[5-azanyl-4-(1,3-benzothiazol-2-yl)-3-oxidanylidene-2H-pyrrol-1-yl]benzoate Openeye Name: [2-(ethylamino)-2-oxo-ethyl] 3-[5-amino-4-(1,3-benzothiazol-2-yl)-3-oxo-2H-pyrrol-1-yl]benzoate CAS Name: 3-[5-amino-4-(1,3-benzothiazol-2-yl)-3-oxo-2H-pyrrol-1-yl]benzoic acid [2-(ethylamino)-2-oxoethyl] ester IUPAC Name: [2-(ethylamino)-2-oxoethyl] 3-[5-amino-4-(1,3-benzothiazol-2-yl)-3-oxo-2H-pyrrol-1-yl]benzoate Traditional Name: 3-[2-amino-3-(1,3-benzothiazol-2-yl)-4-keto-2-pyrrolin-1-yl]benzoic acid [2-(ethylamino)-2-keto-ethyl] ester Formula: C22H20N4O4S MolecularWeight: 436.4836

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)COC(=O)C1=CC(=CC=C1)N2CC(=O)C(=C2N)C3=NC4=CC=CC=C4S3

Isomeric SMILES

CCNC(=O)COC(=O)C1=CC(=CC=C1)N2CC(=O)C(=C2N)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C22H20N4O4S/c1-2-24-18(28)12-30-22(29)13-6-5-7-14(10-13)26-11-16(27)19(20(26)23)21-25-15-8-3-4-9-17(15)31-21/h3-10H,2,11-12,23H2,1H3,(H,24,28)