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

Systemtic Name: 2-bromoethyl [2-[(2-azanyl-2-oxidanylidene-ethyl)carbamoyl]phenyl]sulfanylmethanoate Openeye Name: 2-bromoethyl [2-[(2-amino-2-oxo-ethyl)carbamoyl]phenyl]sulfanylformate CAS Name: [[2-[[(2-amino-2-oxoethyl)amino]-oxomethyl]phenyl]thio]formic acid 2-bromoethyl ester IUPAC Name: 2-bromoethyl [2-[(2-amino-2-oxoethyl)carbamoyl]phenyl]sulfanylformate Traditional Name: [[2-[(2-amino-2-keto-ethyl)carbamoyl]phenyl]thio]formic acid 2-bromoethyl ester Formula: C12H13BrN2O4S MolecularWeight: 361.21162

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13BrN2O4S/c13-5-6-19-12(18)20-9-4-2-1-3-8(9)11(17)15-7-10(14)16/h1-4H,5-7H2,(H2,14,16)(H,15,17)