[2-oxidanylidene-2-[[(1R)-1-phenylethyl]amino]ethyl] (E)-3-(3-chloranyl-1-benzothiophen-2-yl)prop-2-enoate

Systemtic Name: [2-oxidanylidene-2-[[(1R)-1-phenylethyl]amino]ethyl] (E)-3-(3-chloranyl-1-benzothiophen-2-yl)prop-2-enoate Openeye Name: [2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] (E)-3-(3-chlorobenzothiophen-2-yl)prop-2-enoate CAS Name: (E)-3-(3-chloro-1-benzothiophen-2-yl)-2-propenoic acid [2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] ester IUPAC Name: [2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] (E)-3-(3-chloro-1-benzothiophen-2-yl)prop-2-enoate Traditional Name: (E)-3-(3-chlorobenzothiophen-2-yl)acrylic acid [2-keto-2-[[(1R)-1-phenylethyl]amino]ethyl] ester Formula: C21H18ClNO3S MolecularWeight: 399.89052

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NC(=O)COC(=O)C=CC2=C(C3=CC=CC=C3S2)Cl

Isomeric SMILES

C[C@H](C1=CC=CC=C1)NC(=O)COC(=O)/C=C/C2=C(C3=CC=CC=C3S2)Cl

InChI

InChI=1S/C21H18ClNO3S/c1-14(15-7-3-2-4-8-15)23-19(24)13-26-20(25)12-11-18-21(22)16-9-5-6-10-17(16)27-18/h2-12,14H,13H2,1H3,(H,23,24)/b12-11+/t14-/m1/s1