4-[2-(3-ethylpent-1-yn-3-ylamino)-2-oxidanylidene-ethyl]sulfanylbenzoic acid

Systemtic Name: 4-[2-(3-ethylpent-1-yn-3-ylamino)-2-oxidanylidene-ethyl]sulfanylbenzoic acid Openeye Name: 4-[2-(1,1-diethylprop-2-ynylamino)-2-oxo-ethyl]sulfanylbenzoic acid CAS Name: 4-[[2-(3-ethylpent-1-yn-3-ylamino)-2-oxoethyl]thio]benzoic acid IUPAC Name: 4-[2-(3-ethylpent-1-yn-3-ylamino)-2-oxoethyl]sulfanylbenzoic acid Traditional Name: 4-[[2-(1,1-diethylprop-2-ynylamino)-2-keto-ethyl]thio]benzoic acid Formula: C16H19NO3S MolecularWeight: 305.39196

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(C#C)NC(=O)CSC1=CC=C(C=C1)C(=O)O

Isomeric SMILES

CCC(CC)(C#C)NC(=O)CSC1=CC=C(C=C1)C(=O)O

InChI

InChI=1S/C16H19NO3S/c1-4-16(5-2,6-3)17-14(18)11-21-13-9-7-12(8-10-13)15(19)20/h1,7-10H,5-6,11H2,2-3H3,(H,17,18)(H,19,20)