3-[[5-(dimethylamino)-1,3-benzothiazol-2-yl]sulfanyl]-4-(2-methoxyethylamino)-4-oxidanylidene-butanoic acid

Systemtic Name: 3-[[5-(dimethylamino)-1,3-benzothiazol-2-yl]sulfanyl]-4-(2-methoxyethylamino)-4-oxidanylidene-butanoic acid Openeye Name: 3-[[5-(dimethylamino)-1,3-benzothiazol-2-yl]sulfanyl]-4-(2-methoxyethylamino)-4-oxo-butanoic acid CAS Name: 3-[[5-(dimethylamino)-1,3-benzothiazol-2-yl]thio]-4-(2-methoxyethylamino)-4-oxobutanoic acid IUPAC Name: 3-[[5-(dimethylamino)-1,3-benzothiazol-2-yl]sulfanyl]-4-(2-methoxyethylamino)-4-oxobutanoic acid Traditional Name: 3-[[5-(dimethylamino)-1,3-benzothiazol-2-yl]thio]-4-keto-4-(2-methoxyethylamino)butyric acid Formula: C16H21N3O4S2 MolecularWeight: 383.48564

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC2=C(C=C1)SC(=N2)SC(CC(=O)O)C(=O)NCCOC

Isomeric SMILES

CN(C)C1=CC2=C(C=C1)SC(=N2)SC(CC(=O)O)C(=O)NCCOC

InChI

InChI=1S/C16H21N3O4S2/c1-19(2)10-4-5-12-11(8-10)18-16(24-12)25-13(9-14(20)21)15(22)17-6-7-23-3/h4-5,8,13H,6-7,9H2,1-3H3,(H,17,22)(H,20,21)