2-[1-(chloranylamino)-2-oxidanyl-2-oxidanylidene-ethyl]-3-[(phenylcarbamothioylamino)methyl]cyclopropane-1-carboxylic acid

Systemtic Name: 2-[1-(chloranylamino)-2-oxidanyl-2-oxidanylidene-ethyl]-3-[(phenylcarbamothioylamino)methyl]cyclopropane-1-carboxylic acid Openeye Name: 2-[1-(chloroamino)-2-hydroxy-2-oxo-ethyl]-3-[(phenylcarbamothioylamino)methyl]cyclopropanecarboxylic acid CAS Name: 2-[[[anilino(sulfanylidene)methyl]amino]methyl]-3-[1-(chloroamino)-2-hydroxy-2-oxoethyl]-1-cyclopropanecarboxylic acid IUPAC Name: 2-[1-(chloroamino)-2-hydroxy-2-oxoethyl]-3-[(phenylcarbamothioylamino)methyl]cyclopropane-1-carboxylic acid Traditional Name: 2-[1-(chloroamino)-2-hydroxy-2-keto-ethyl]-3-[(phenylthiocarbamoylamino)methyl]cyclopropanecarboxylic acid Formula: C14H16ClN3O4S MolecularWeight: 357.81254

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC(=S)NCC2C(C2C(=O)O)C(C(=O)O)NCl

Isomeric SMILES

C1=CC=C(C=C1)NC(=S)NCC2C(C2C(=O)O)C(C(=O)O)NCl

InChI

InChI=1S/C14H16ClN3O4S/c15-18-11(13(21)22)9-8(10(9)12(19)20)6-16-14(23)17-7-4-2-1-3-5-7/h1-5,8-11,18H,6H2,(H,19,20)(H,21,22)(H2,16,17,23)