[aminocarbonyl-[4-[5-[(4-fluorophenyl)methyl]thiophen-2-yl]but-3-yn-2-yl]amino] 2-[[2,6-bis(chloranyl)-3-methyl-phenyl]amino]benzoate

Systemtic Name: [aminocarbonyl-[4-[5-[(4-fluorophenyl)methyl]thiophen-2-yl]but-3-yn-2-yl]amino] 2-[[2,6-bis(chloranyl)-3-methyl-phenyl]amino]benzoate Openeye Name: [carbamoyl-[3-[5-[(4-fluorophenyl)methyl]-2-thienyl]-1-methyl-prop-2-ynyl]amino] 2-(2,6-dichloro-3-methyl-anilino)benzoate CAS Name: 2-(2,6-dichloro-3-methylanilino)benzoic acid [carbamoyl-[4-[5-[(4-fluorophenyl)methyl]-2-thiophenyl]but-3-yn-2-yl]amino] ester IUPAC Name: [carbamoyl-[4-[5-[(4-fluorophenyl)methyl]thiophen-2-yl]but-3-yn-2-yl]amino] 2-(2,6-dichloro-3-methylanilino)benzoate Traditional Name: 2-(2,6-dichloro-3-methyl-anilino)benzoic acid [carbamoyl-[3-[5-(4-fluorobenzyl)-2-thienyl]-1-methyl-prop-2-ynyl]amino] ester Formula: C30H24Cl2FN3O3S MolecularWeight: 596.499263

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1)Cl)NC2=CC=CC=C2C(=O)ON(C(C)C#CC3=CC=C(S3)CC4=CC=C(C=C4)F)C(=O)N)Cl

Isomeric SMILES

CC1=C(C(=C(C=C1)Cl)NC2=CC=CC=C2C(=O)ON(C(C)C#CC3=CC=C(S3)CC4=CC=C(C=C4)F)C(=O)N)Cl

InChI

InChI=1S/C30H24Cl2FN3O3S/c1-18-7-16-25(31)28(27(18)32)35-26-6-4-3-5-24(26)29(37)39-36(30(34)38)19(2)8-13-22-14-15-23(40-22)17-20-9-11-21(33)12-10-20/h3-7,9-12,14-16,19,35H,17H2,1-2H3,(H2,34,38)