2-bromoethyl [2-[(3-azanyl-3-oxidanylidene-propyl)carbamoyl]phenyl]sulfanylmethanoate

Systemtic Name: 2-bromoethyl [2-[(3-azanyl-3-oxidanylidene-propyl)carbamoyl]phenyl]sulfanylmethanoate Openeye Name: 2-bromoethyl [2-[(3-amino-3-oxo-propyl)carbamoyl]phenyl]sulfanylformate CAS Name: [[2-[[(3-amino-3-oxopropyl)amino]-oxomethyl]phenyl]thio]formic acid 2-bromoethyl ester IUPAC Name: 2-bromoethyl [2-[(3-amino-3-oxopropyl)carbamoyl]phenyl]sulfanylformate Traditional Name: [[2-[(3-amino-3-keto-propyl)carbamoyl]phenyl]thio]formic acid 2-bromoethyl ester Formula: C13H15BrN2O4S MolecularWeight: 375.2382

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)NCCC(=O)N)SC(=O)OCCBr

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)NCCC(=O)N)SC(=O)OCCBr

InChI

InChI=1S/C13H15BrN2O4S/c14-6-8-20-13(19)21-10-4-2-1-3-9(10)12(18)16-7-5-11(15)17/h1-4H,5-8H2,(H2,15,17)(H,16,18)