O-ethyl [2-[[1-(tert-butylamino)-3,3-dimethyl-1-oxidanylidene-hex-5-en-2-yl]-[2-(3,4-dimethoxyphenyl)ethyl]amino]-2-oxidanylidene-ethyl]sulfanylmethanethioate

Systemtic Name: O-ethyl [2-[[1-(tert-butylamino)-3,3-dimethyl-1-oxidanylidene-hex-5-en-2-yl]-[2-(3,4-dimethoxyphenyl)ethyl]amino]-2-oxidanylidene-ethyl]sulfanylmethanethioate Openeye Name: O-ethyl [2-[[1-(tert-butylcarbamoyl)-2,2-dimethyl-pent-4-enyl]-[2-(3,4-dimethoxyphenyl)ethyl]amino]-2-oxo-ethyl]sulfanylmethanethioate CAS Name: [[2-[[1-(tert-butylamino)-3,3-dimethyl-1-oxohex-5-en-2-yl]-[2-(3,4-dimethoxyphenyl)ethyl]amino]-2-oxoethyl]thio]methanethioic acid O-ethyl ester IUPAC Name: O-ethyl [2-[[1-(tert-butylamino)-3,3-dimethyl-1-oxohex-5-en-2-yl]-[2-(3,4-dimethoxyphenyl)ethyl]amino]-2-oxoethyl]sulfanylmethanethioate Traditional Name: [[2-[[1-(tert-butylcarbamoyl)-2,2-dimethyl-pent-4-enyl]-homoveratryl-amino]-2-keto-ethyl]thio]methanethioic acid O-ethyl ester Formula: C27H42N2O5S2 MolecularWeight: 538.76278

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=S)SCC(=O)N(CCC1=CC(=C(C=C1)OC)OC)C(C(=O)NC(C)(C)C)C(C)(C)CC=C

Isomeric SMILES

CCOC(=S)SCC(=O)N(CCC1=CC(=C(C=C1)OC)OC)C(C(=O)NC(C)(C)C)C(C)(C)CC=C

InChI

InChI=1S/C27H42N2O5S2/c1-10-15-27(6,7)23(24(31)28-26(3,4)5)29(22(30)18-36-25(35)34-11-2)16-14-19-12-13-20(32-8)21(17-19)33-9/h10,12-13,17,23H,1,11,14-16,18H2,2-9H3,(H,28,31)