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

Systemtic Name: [1-(2-methylpropylamino)-1-oxidanylidene-propan-2-yl] (E)-3-(3-chloranyl-1-benzothiophen-2-yl)prop-2-enoate Openeye Name: [2-(isobutylamino)-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 [1-(2-methylpropylamino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2-methylpropylamino)-1-oxopropan-2-yl] (E)-3-(3-chloro-1-benzothiophen-2-yl)prop-2-enoate Traditional Name: (E)-3-(3-chlorobenzothiophen-2-yl)acrylic acid [2-(isobutylamino)-2-keto-1-methyl-ethyl] ester Formula: C18H20ClNO3S MolecularWeight: 365.8743

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(C)CNC(=O)C(C)OC(=O)/C=C/C1=C(C2=CC=CC=C2S1)Cl

InChI

InChI=1S/C18H20ClNO3S/c1-11(2)10-20-18(22)12(3)23-16(21)9-8-15-17(19)13-6-4-5-7-14(13)24-15/h4-9,11-12H,10H2,1-3H3,(H,20,22)/b9-8+