methyl 2-[2-[4-[2-[[2,6-di(propan-2-yl)phenyl]amino]-2-oxidanylidene-ethyl]piperazin-1-yl]ethylsulfanyl]-1,3-benzoxazole-4-carboxylate

Systemtic Name: methyl 2-[2-[4-[2-[[2,6-di(propan-2-yl)phenyl]amino]-2-oxidanylidene-ethyl]piperazin-1-yl]ethylsulfanyl]-1,3-benzoxazole-4-carboxylate Openeye Name: methyl 2-[2-[4-[2-(2,6-diisopropylanilino)-2-oxo-ethyl]piperazin-1-yl]ethylsulfanyl]-1,3-benzoxazole-4-carboxylate CAS Name: 2-[2-[4-[2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl]-1-piperazinyl]ethylthio]-1,3-benzoxazole-4-carboxylic acid methyl ester IUPAC Name: methyl 2-[2-[4-[2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl]piperazin-1-yl]ethylsulfanyl]-1,3-benzoxazole-4-carboxylate Traditional Name: 2-[2-[4-[2-(2,6-diisopropylanilino)-2-keto-ethyl]piperazino]ethylthio]-1,3-benzoxazole-4-carboxylic acid methyl ester Formula: C29H38N4O4S MolecularWeight: 538.70142

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C(=CC=C1)C(C)C)NC(=O)CN2CCN(CC2)CCSC3=NC4=C(C=CC=C4O3)C(=O)OC

Isomeric SMILES

CC(C)C1=C(C(=CC=C1)C(C)C)NC(=O)CN2CCN(CC2)CCSC3=NC4=C(C=CC=C4O3)C(=O)OC

InChI

InChI=1S/C29H38N4O4S/c1-19(2)21-8-6-9-22(20(3)4)26(21)30-25(34)18-33-14-12-32(13-15-33)16-17-38-29-31-27-23(28(35)36-5)10-7-11-24(27)37-29/h6-11,19-20H,12-18H2,1-5H3,(H,30,34)