[6-butyl-3-(2-methyl-1,3-thiazol-4-yl)-4-oxidanylidene-chromen-7-yl] (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-methylsulfanyl-butanoate

Systemtic Name: [6-butyl-3-(2-methyl-1,3-thiazol-4-yl)-4-oxidanylidene-chromen-7-yl] (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-methylsulfanyl-butanoate Openeye Name: [6-butyl-3-(2-methylthiazol-4-yl)-4-oxo-chromen-7-yl] (2S)-2-(tert-butoxycarbonylamino)-4-methylsulfanyl-butanoate CAS Name: (2S)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-4-(methylthio)butanoic acid [6-butyl-3-(2-methyl-4-thiazolyl)-4-oxo-1-benzopyran-7-yl] ester IUPAC Name: [6-butyl-3-(2-methyl-1,3-thiazol-4-yl)-4-oxochromen-7-yl] (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-methylsulfanylbutanoate Traditional Name: (2S)-2-(tert-butoxycarbonylamino)-4-(methylthio)butyric acid [6-butyl-4-keto-3-(2-methylthiazol-4-yl)chromen-7-yl] ester Formula: C27H34N2O6S2 MolecularWeight: 546.69866

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C=C2C(=C1)C(=O)C(=CO2)C3=CSC(=N3)C)OC(=O)C(CCSC)NC(=O)OC(C)(C)C

Isomeric SMILES

CCCCC1=C(C=C2C(=C1)C(=O)C(=CO2)C3=CSC(=N3)C)OC(=O)[C@H](CCSC)NC(=O)OC(C)(C)C

InChI

InChI=1S/C27H34N2O6S2/c1-7-8-9-17-12-18-23(33-14-19(24(18)30)21-15-37-16(2)28-21)13-22(17)34-25(31)20(10-11-36-6)29-26(32)35-27(3,4)5/h12-15,20H,7-11H2,1-6H3,(H,29,32)/t20-/m0/s1