O-ethyl [2-[(3-bromanyl-4-methoxy-phenyl)methyl-tert-butyl-amino]-2-oxidanylidene-ethyl]sulfanylmethanethioate

Systemtic Name: O-ethyl [2-[(3-bromanyl-4-methoxy-phenyl)methyl-tert-butyl-amino]-2-oxidanylidene-ethyl]sulfanylmethanethioate Openeye Name: O-ethyl [2-[(3-bromo-4-methoxy-phenyl)methyl-tert-butyl-amino]-2-oxo-ethyl]sulfanylmethanethioate CAS Name: [[2-[(3-bromo-4-methoxyphenyl)methyl-tert-butylamino]-2-oxoethyl]thio]methanethioic acid O-ethyl ester IUPAC Name: O-ethyl [2-[(3-bromo-4-methoxyphenyl)methyl-tert-butylamino]-2-oxoethyl]sulfanylmethanethioate Traditional Name: [[2-[(3-bromo-4-methoxy-benzyl)-tert-butyl-amino]-2-keto-ethyl]thio]methanethioic acid O-ethyl ester Formula: C17H24BrNO3S2 MolecularWeight: 434.41136

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=S)SCC(=O)N(CC1=CC(=C(C=C1)OC)Br)C(C)(C)C

Isomeric SMILES

CCOC(=S)SCC(=O)N(CC1=CC(=C(C=C1)OC)Br)C(C)(C)C

InChI

InChI=1S/C17H24BrNO3S2/c1-6-22-16(23)24-11-15(20)19(17(2,3)4)10-12-7-8-14(21-5)13(18)9-12/h7-9H,6,10-11H2,1-5H3