2,2-diethyl-4-[(2-methyl-1,3-benzothiazol-6-yl)amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 2,2-diethyl-4-[(2-methyl-1,3-benzothiazol-6-yl)amino]-4-oxidanylidene-butanoic acid Openeye Name: 2,2-diethyl-4-[(2-methyl-1,3-benzothiazol-6-yl)amino]-4-oxo-butanoic acid CAS Name: 2,2-diethyl-4-[(2-methyl-1,3-benzothiazol-6-yl)amino]-4-oxobutanoic acid IUPAC Name: 2,2-diethyl-4-[(2-methyl-1,3-benzothiazol-6-yl)amino]-4-oxobutanoic acid Traditional Name: 2,2-diethyl-4-keto-4-[(2-methyl-1,3-benzothiazol-6-yl)amino]butyric acid Formula: C16H20N2O3S MolecularWeight: 320.4066

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(CC(=O)NC1=CC2=C(C=C1)N=C(S2)C)C(=O)O

Isomeric SMILES

CCC(CC)(CC(=O)NC1=CC2=C(C=C1)N=C(S2)C)C(=O)O

InChI

InChI=1S/C16H20N2O3S/c1-4-16(5-2,15(20)21)9-14(19)18-11-6-7-12-13(8-11)22-10(3)17-12/h6-8H,4-5,9H2,1-3H3,(H,18,19)(H,20,21)