[(2S)-1-oxidanylidene-1-(propan-2-ylamino)propan-2-yl] (E)-3-(3-chloranyl-1-benzothiophen-2-yl)prop-2-enoate

Systemtic Name: [(2S)-1-oxidanylidene-1-(propan-2-ylamino)propan-2-yl] (E)-3-(3-chloranyl-1-benzothiophen-2-yl)prop-2-enoate Openeye Name: [(1S)-2-(isopropylamino)-1-methyl-2-oxo-ethyl] (E)-3-(3-chlorobenzothiophen-2-yl)prop-2-enoate CAS Name: (E)-3-(3-chloro-1-benzothiophen-2-yl)-2-propenoic acid [(2S)-1-oxo-1-(propan-2-ylamino)propan-2-yl] ester IUPAC Name: [(2S)-1-oxo-1-(propan-2-ylamino)propan-2-yl] (E)-3-(3-chloro-1-benzothiophen-2-yl)prop-2-enoate Traditional Name: (E)-3-(3-chlorobenzothiophen-2-yl)acrylic acid [(1S)-2-(isopropylamino)-2-keto-1-methyl-ethyl] ester Formula: C17H18ClNO3S MolecularWeight: 351.84772

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)C(C)OC(=O)C=CC1=C(C2=CC=CC=C2S1)Cl

Isomeric SMILES

C[C@@H](C(=O)NC(C)C)OC(=O)/C=C/C1=C(C2=CC=CC=C2S1)Cl

InChI

InChI=1S/C17H18ClNO3S/c1-10(2)19-17(21)11(3)22-15(20)9-8-14-16(18)12-6-4-5-7-13(12)23-14/h4-11H,1-3H3,(H,19,21)/b9-8+/t11-/m0/s1