2,2-diethyl-4-[(2-methylsulfanyl-1,3-benzothiazol-6-yl)amino]-4-oxidanylidene-butanoate

Systemtic Name: 2,2-diethyl-4-[(2-methylsulfanyl-1,3-benzothiazol-6-yl)amino]-4-oxidanylidene-butanoate Openeye Name: 2,2-diethyl-4-[(2-methylsulfanyl-1,3-benzothiazol-6-yl)amino]-4-oxo-butanoate CAS Name: 2,2-diethyl-4-[[2-(methylthio)-1,3-benzothiazol-6-yl]amino]-4-oxobutanoate IUPAC Name: 2,2-diethyl-4-[(2-methylsulfanyl-1,3-benzothiazol-6-yl)amino]-4-oxobutanoate Traditional Name: 2,2-diethyl-4-keto-4-[[2-(methylthio)-1,3-benzothiazol-6-yl]amino]butyrate Formula: C16H19N2O3S2- MolecularWeight: 351.46366

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(CC(=O)NC1=CC2=C(C=C1)N=C(S2)SC)C(=O)[O-]

Isomeric SMILES

CCC(CC)(CC(=O)NC1=CC2=C(C=C1)N=C(S2)SC)C(=O)[O-]

InChI

InChI=1S/C16H20N2O3S2/c1-4-16(5-2,14(20)21)9-13(19)17-10-6-7-11-12(8-10)23-15(18-11)22-3/h6-8H,4-5,9H2,1-3H3,(H,17,19)(H,20,21)/p-1