4-chloranylbutyl [2-[(2-azanyl-2-oxidanylidene-ethyl)carbamoyl]phenyl]sulfanylmethanoate

Systemtic Name: 4-chloranylbutyl [2-[(2-azanyl-2-oxidanylidene-ethyl)carbamoyl]phenyl]sulfanylmethanoate Openeye Name: 4-chlorobutyl [2-[(2-amino-2-oxo-ethyl)carbamoyl]phenyl]sulfanylformate CAS Name: [[2-[[(2-amino-2-oxoethyl)amino]-oxomethyl]phenyl]thio]formic acid 4-chlorobutyl ester IUPAC Name: 4-chlorobutyl [2-[(2-amino-2-oxoethyl)carbamoyl]phenyl]sulfanylformate Traditional Name: [[2-[(2-amino-2-keto-ethyl)carbamoyl]phenyl]thio]formic acid 4-chlorobutyl ester Formula: C14H17ClN2O4S MolecularWeight: 344.81378

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)NCC(=O)N)SC(=O)OCCCCCl

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)NCC(=O)N)SC(=O)OCCCCCl

InChI

InChI=1S/C14H17ClN2O4S/c15-7-3-4-8-21-14(20)22-11-6-2-1-5-10(11)13(19)17-9-12(16)18/h1-2,5-6H,3-4,7-9H2,(H2,16,18)(H,17,19)