methyl (2S)-3-(1H-indol-3-yl)-2-[(2-methyl-3,1-benzoxazin-4-ylidene)amino]propanoate

Systemtic Name: methyl (2S)-3-(1H-indol-3-yl)-2-[(2-methyl-3,1-benzoxazin-4-ylidene)amino]propanoate Openeye Name: methyl (2S)-3-(1H-indol-3-yl)-2-[(2-methyl-3,1-benzoxazin-4-ylidene)amino]propanoate CAS Name: (2S)-3-(1H-indol-3-yl)-2-[(2-methyl-3,1-benzoxazin-4-ylidene)amino]propanoic acid methyl ester IUPAC Name: methyl (2S)-3-(1H-indol-3-yl)-2-[(2-methyl-3,1-benzoxazin-4-ylidene)amino]propanoate Traditional Name: (2S)-3-(1H-indol-3-yl)-2-[(2-methyl-3,1-benzoxazin-4-ylidene)amino]propionic acid methyl ester Formula: C21H19N3O3 MolecularWeight: 361.39386

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2C(=NC(CC3=CNC4=CC=CC=C43)C(=O)OC)O1

Isomeric SMILES

CC1=NC2=CC=CC=C2C(=N[C@@H](CC3=CNC4=CC=CC=C43)C(=O)OC)O1

InChI

InChI=1S/C21H19N3O3/c1-13-23-18-10-6-4-8-16(18)20(27-13)24-19(21(25)26-2)11-14-12-22-17-9-5-3-7-15(14)17/h3-10,12,19,22H,11H2,1-2H3/t19-/m0/s1