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

Systemtic Name: [2-oxidanylidene-2-(prop-2-enylamino)ethyl] 3-[5-azanyl-4-(1,3-benzothiazol-2-yl)-3-oxidanylidene-2H-pyrrol-1-yl]benzoate Openeye Name: [2-(allylamino)-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-oxo-2-(prop-2-enylamino)ethyl] ester IUPAC Name: [2-oxo-2-(prop-2-enylamino)ethyl] 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-(allylamino)-2-keto-ethyl] ester Formula: C23H20N4O4S MolecularWeight: 448.4943

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H20N4O4S/c1-2-10-25-19(29)13-31-23(30)14-6-5-7-15(11-14)27-12-17(28)20(21(27)24)22-26-16-8-3-4-9-18(16)32-22/h2-9,11H,1,10,12-13,24H2,(H,25,29)