[2-(1-adamantylmethylamino)-2-oxidanylidene-ethyl] (E)-3-(3-methylthiophen-2-yl)prop-2-enoate

Systemtic Name: [2-(1-adamantylmethylamino)-2-oxidanylidene-ethyl] (E)-3-(3-methylthiophen-2-yl)prop-2-enoate Openeye Name: [2-(1-adamantylmethylamino)-2-oxo-ethyl] (E)-3-(3-methyl-2-thienyl)prop-2-enoate CAS Name: (E)-3-(3-methyl-2-thiophenyl)-2-propenoic acid [2-(1-adamantylmethylamino)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylmethylamino)-2-oxoethyl] (E)-3-(3-methylthiophen-2-yl)prop-2-enoate Traditional Name: (E)-3-(3-methyl-2-thienyl)acrylic acid [2-(1-adamantylmethylamino)-2-keto-ethyl] ester Formula: C21H27NO3S MolecularWeight: 373.50898

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=C1)C=CC(=O)OCC(=O)NCC23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CC1=C(SC=C1)/C=C/C(=O)OCC(=O)NCC23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C21H27NO3S/c1-14-4-5-26-18(14)2-3-20(24)25-12-19(23)22-13-21-9-15-6-16(10-21)8-17(7-15)11-21/h2-5,15-17H,6-13H2,1H3,(H,22,23)/b3-2+