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

Systemtic Name: 2-diethylaminoethyl 4-[5-azanyl-4-(1,3-benzothiazol-2-yl)-3-oxidanylidene-2H-pyrrol-1-yl]benzoate Openeye Name: 2-diethylaminoethyl 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-diethylaminoethyl ester IUPAC Name: 2-diethylaminoethyl 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-diethylaminoethyl ester Formula: C24H26N4O3S MolecularWeight: 450.55324

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCOC(=O)C1=CC=C(C=C1)N2CC(=O)C(=C2N)C3=NC4=CC=CC=C4S3

Isomeric SMILES

CCN(CC)CCOC(=O)C1=CC=C(C=C1)N2CC(=O)C(=C2N)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C24H26N4O3S/c1-3-27(4-2)13-14-31-24(30)16-9-11-17(12-10-16)28-15-19(29)21(22(28)25)23-26-18-7-5-6-8-20(18)32-23/h5-12H,3-4,13-15,25H2,1-2H3