(E)-2-[[2-chloranyl-4-(1H-indol-4-ylmethylcarbamoyl)phenyl]carbonylamino]-3-thiophen-2-yl-prop-2-enoic acid

Systemtic Name: (E)-2-[[2-chloranyl-4-(1H-indol-4-ylmethylcarbamoyl)phenyl]carbonylamino]-3-thiophen-2-yl-prop-2-enoic acid Openeye Name: (E)-2-[[2-chloro-4-(1H-indol-4-ylmethylcarbamoyl)benzoyl]amino]-3-(2-thienyl)prop-2-enoic acid CAS Name: (E)-2-[[[2-chloro-4-[(1H-indol-4-ylmethylamino)-oxomethyl]phenyl]-oxomethyl]amino]-3-thiophen-2-yl-2-propenoic acid IUPAC Name: (E)-2-[[2-chloro-4-(1H-indol-4-ylmethylcarbamoyl)benzoyl]amino]-3-thiophen-2-ylprop-2-enoic acid Traditional Name: (E)-2-[[2-chloro-4-(1H-indol-4-ylmethylcarbamoyl)benzoyl]amino]-3-(2-thienyl)acrylic acid Formula: C24H18ClN3O4S MolecularWeight: 479.93542

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C2C=CNC2=C1)CNC(=O)C3=CC(=C(C=C3)C(=O)NC(=CC4=CC=CS4)C(=O)O)Cl

Isomeric SMILES

C1=CC(=C2C=CNC2=C1)CNC(=O)C3=CC(=C(C=C3)C(=O)N/C(=C/C4=CC=CS4)/C(=O)O)Cl

InChI

InChI=1S/C24H18ClN3O4S/c25-19-11-14(22(29)27-13-15-3-1-5-20-17(15)8-9-26-20)6-7-18(19)23(30)28-21(24(31)32)12-16-4-2-10-33-16/h1-12,26H,13H2,(H,27,29)(H,28,30)(H,31,32)/b21-12+