methyl (2S)-2-azanyl-3-[4-[(Z)-(5-methyl-3-oxidanylidene-1-benzothiophen-2-ylidene)methyl]phenyl]propanoate

Systemtic Name: methyl (2S)-2-azanyl-3-[4-[(Z)-(5-methyl-3-oxidanylidene-1-benzothiophen-2-ylidene)methyl]phenyl]propanoate Openeye Name: methyl (2S)-2-amino-3-[4-[(Z)-(5-methyl-3-oxo-benzothiophen-2-ylidene)methyl]phenyl]propanoate CAS Name: (2S)-2-amino-3-[4-[(Z)-(5-methyl-3-oxo-1-benzothiophen-2-ylidene)methyl]phenyl]propanoic acid methyl ester IUPAC Name: methyl (2S)-2-amino-3-[4-[(Z)-(5-methyl-3-oxo-1-benzothiophen-2-ylidene)methyl]phenyl]propanoate Traditional Name: (2S)-2-amino-3-[4-[(Z)-(3-keto-5-methyl-benzothiophen-2-ylidene)methyl]phenyl]propionic acid methyl ester Formula: C20H19NO3S MolecularWeight: 353.43476

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)SC(=CC3=CC=C(C=C3)CC(C(=O)OC)N)C2=O

Isomeric SMILES

CC1=CC2=C(C=C1)S/C(=C\C3=CC=C(C=C3)C[C@@H](C(=O)OC)N)/C2=O

InChI

InChI=1S/C20H19NO3S/c1-12-3-8-17-15(9-12)19(22)18(25-17)11-14-6-4-13(5-7-14)10-16(21)20(23)24-2/h3-9,11,16H,10,21H2,1-2H3/b18-11-/t16-/m0/s1