methyl (2S)-2-[[5-(1,3-benzothiazol-2-yl)thiophen-2-yl]carbonylamino]-3-phenyl-propanoate

Systemtic Name: methyl (2S)-2-[[5-(1,3-benzothiazol-2-yl)thiophen-2-yl]carbonylamino]-3-phenyl-propanoate Openeye Name: methyl (2S)-2-[[5-(1,3-benzothiazol-2-yl)thiophene-2-carbonyl]amino]-3-phenyl-propanoate CAS Name: (2S)-2-[[[5-(1,3-benzothiazol-2-yl)-2-thiophenyl]-oxomethyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[5-(1,3-benzothiazol-2-yl)thiophene-2-carbonyl]amino]-3-phenylpropanoate Traditional Name: (2S)-2-[[5-(1,3-benzothiazol-2-yl)thiophene-2-carbonyl]amino]-3-phenyl-propionic acid methyl ester Formula: C22H18N2O3S2 MolecularWeight: 422.51992

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC=CC=C1)NC(=O)C2=CC=C(S2)C3=NC4=CC=CC=C4S3

Isomeric SMILES

COC(=O)[C@H](CC1=CC=CC=C1)NC(=O)C2=CC=C(S2)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C22H18N2O3S2/c1-27-22(26)16(13-14-7-3-2-4-8-14)23-20(25)18-11-12-19(28-18)21-24-15-9-5-6-10-17(15)29-21/h2-12,16H,13H2,1H3,(H,23,25)/t16-/m0/s1