(E)-3-[4-[[4-[3-(2-butoxyethyl)-2-methoxy-phenyl]-1,3-thiazol-2-yl]carbamoyl]-2,6-bis(chloranyl)phenyl]-2-methyl-prop-2-enoic acid

Systemtic Name: (E)-3-[4-[[4-[3-(2-butoxyethyl)-2-methoxy-phenyl]-1,3-thiazol-2-yl]carbamoyl]-2,6-bis(chloranyl)phenyl]-2-methyl-prop-2-enoic acid Openeye Name: (E)-3-[4-[[4-[3-(2-butoxyethyl)-2-methoxy-phenyl]thiazol-2-yl]carbamoyl]-2,6-dichloro-phenyl]-2-methyl-prop-2-enoic acid CAS Name: (E)-3-[4-[[[4-[3-(2-butoxyethyl)-2-methoxyphenyl]-2-thiazolyl]amino]-oxomethyl]-2,6-dichlorophenyl]-2-methyl-2-propenoic acid IUPAC Name: (E)-3-[4-[[4-[3-(2-butoxyethyl)-2-methoxyphenyl]-1,3-thiazol-2-yl]carbamoyl]-2,6-dichlorophenyl]-2-methylprop-2-enoic acid Traditional Name: (E)-3-[4-[[4-[3-(2-butoxyethyl)-2-methoxy-phenyl]thiazol-2-yl]carbamoyl]-2,6-dichloro-phenyl]-2-methyl-acrylic acid Formula: C27H28Cl2N2O5S MolecularWeight: 563.49262

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOCCC1=CC=CC(=C1OC)C2=CSC(=N2)NC(=O)C3=CC(=C(C(=C3)Cl)C=C(C)C(=O)O)Cl

Isomeric SMILES

CCCCOCCC1=CC=CC(=C1OC)C2=CSC(=N2)NC(=O)C3=CC(=C(C(=C3)Cl)/C=C(\C)/C(=O)O)Cl

InChI

InChI=1S/C27H28Cl2N2O5S/c1-4-5-10-36-11-9-17-7-6-8-19(24(17)35-3)23-15-37-27(30-23)31-25(32)18-13-21(28)20(22(29)14-18)12-16(2)26(33)34/h6-8,12-15H,4-5,9-11H2,1-3H3,(H,33,34)(H,30,31,32)/b16-12+