methyl (E,4S)-5-(1H-indol-2-yl)-4-[(2-iodanylphenyl)carbamoylamino]pent-2-enoate

Systemtic Name: methyl (E,4S)-5-(1H-indol-2-yl)-4-[(2-iodanylphenyl)carbamoylamino]pent-2-enoate Openeye Name: methyl (E,4S)-5-(1H-indol-2-yl)-4-[(2-iodophenyl)carbamoylamino]pent-2-enoate CAS Name: (E,4S)-5-(1H-indol-2-yl)-4-[[(2-iodoanilino)-oxomethyl]amino]-2-pentenoic acid methyl ester IUPAC Name: methyl (E,4S)-5-(1H-indol-2-yl)-4-[(2-iodophenyl)carbamoylamino]pent-2-enoate Traditional Name: (E,4S)-5-(1H-indol-2-yl)-4-[(2-iodophenyl)carbamoylamino]pent-2-enoic acid methyl ester Formula: C21H20IN3O3 MolecularWeight: 489.30627

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C=CC(CC1=CC2=CC=CC=C2N1)NC(=O)NC3=CC=CC=C3I

Isomeric SMILES

COC(=O)/C=C/[C@H](CC1=CC2=CC=CC=C2N1)NC(=O)NC3=CC=CC=C3I

InChI

InChI=1S/C21H20IN3O3/c1-28-20(26)11-10-15(13-16-12-14-6-2-4-8-18(14)23-16)24-21(27)25-19-9-5-3-7-17(19)22/h2-12,15,23H,13H2,1H3,(H2,24,25,27)/b11-10+/t15-/m1/s1