(3-methyl-1,2-oxazol-5-yl)methyl 3-(5-methyl-2-thiophen-2-yl-1H-indol-3-yl)propanoate

Systemtic Name: (3-methyl-1,2-oxazol-5-yl)methyl 3-(5-methyl-2-thiophen-2-yl-1H-indol-3-yl)propanoate Openeye Name: (3-methylisoxazol-5-yl)methyl 3-[5-methyl-2-(2-thienyl)-1H-indol-3-yl]propanoate CAS Name: 3-(5-methyl-2-thiophen-2-yl-1H-indol-3-yl)propanoic acid (3-methyl-5-isoxazolyl)methyl ester IUPAC Name: (3-methyl-1,2-oxazol-5-yl)methyl 3-(5-methyl-2-thiophen-2-yl-1H-indol-3-yl)propanoate Traditional Name: 3-[5-methyl-2-(2-thienyl)-1H-indol-3-yl]propionic acid (3-methylisoxazol-5-yl)methyl ester Formula: C21H20N2O3S MolecularWeight: 380.4601

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)NC(=C2CCC(=O)OCC3=CC(=NO3)C)C4=CC=CS4

Isomeric SMILES

CC1=CC2=C(C=C1)NC(=C2CCC(=O)OCC3=CC(=NO3)C)C4=CC=CS4

InChI

InChI=1S/C21H20N2O3S/c1-13-5-7-18-17(10-13)16(21(22-18)19-4-3-9-27-19)6-8-20(24)25-12-15-11-14(2)23-26-15/h3-5,7,9-11,22H,6,8,12H2,1-2H3