[2-[(4-methylcyclohexyl)amino]-2-oxidanylidene-ethyl] (E)-3-(3-chloranyl-1-benzothiophen-2-yl)prop-2-enoate

Systemtic Name: [2-[(4-methylcyclohexyl)amino]-2-oxidanylidene-ethyl] (E)-3-(3-chloranyl-1-benzothiophen-2-yl)prop-2-enoate Openeye Name: [2-[(4-methylcyclohexyl)amino]-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 [2-[(4-methylcyclohexyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(4-methylcyclohexyl)amino]-2-oxoethyl] (E)-3-(3-chloro-1-benzothiophen-2-yl)prop-2-enoate Traditional Name: (E)-3-(3-chlorobenzothiophen-2-yl)acrylic acid [2-keto-2-[(4-methylcyclohexyl)amino]ethyl] ester Formula: C20H22ClNO3S MolecularWeight: 391.91158

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CC1)NC(=O)COC(=O)C=CC2=C(C3=CC=CC=C3S2)Cl

Isomeric SMILES

CC1CCC(CC1)NC(=O)COC(=O)/C=C/C2=C(C3=CC=CC=C3S2)Cl

InChI

InChI=1S/C20H22ClNO3S/c1-13-6-8-14(9-7-13)22-18(23)12-25-19(24)11-10-17-20(21)15-4-2-3-5-16(15)26-17/h2-5,10-11,13-14H,6-9,12H2,1H3,(H,22,23)/b11-10+