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

Systemtic Name: ethyl 4-[5-azanyl-4-(1,3-benzothiazol-2-yl)-3-oxidanylidene-2H-pyrrol-1-yl]butanoate Openeye Name: ethyl 4-[5-amino-4-(1,3-benzothiazol-2-yl)-3-oxo-2H-pyrrol-1-yl]butanoate CAS Name: 4-[5-amino-4-(1,3-benzothiazol-2-yl)-3-oxo-2H-pyrrol-1-yl]butanoic acid ethyl ester IUPAC Name: ethyl 4-[5-amino-4-(1,3-benzothiazol-2-yl)-3-oxo-2H-pyrrol-1-yl]butanoate Traditional Name: 4-[2-amino-3-(1,3-benzothiazol-2-yl)-4-keto-2-pyrrolin-1-yl]butyric acid ethyl ester Formula: C17H19N3O3S MolecularWeight: 345.41606

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCN1CC(=O)C(=C1N)C2=NC3=CC=CC=C3S2

Isomeric SMILES

CCOC(=O)CCCN1CC(=O)C(=C1N)C2=NC3=CC=CC=C3S2

InChI

InChI=1S/C17H19N3O3S/c1-2-23-14(22)8-5-9-20-10-12(21)15(16(20)18)17-19-11-6-3-4-7-13(11)24-17/h3-4,6-7H,2,5,8-10,18H2,1H3