1-adamantyl-[2-[[3,5-bis(methoxycarbonyl)-4-methyl-thiophen-2-yl]amino]-2-oxidanylidene-ethyl]azanium

Systemtic Name: 1-adamantyl-[2-[[3,5-bis(methoxycarbonyl)-4-methyl-thiophen-2-yl]amino]-2-oxidanylidene-ethyl]azanium Openeye Name: 1-adamantyl-[2-[[3,5-bis(methoxycarbonyl)-4-methyl-2-thienyl]amino]-2-oxo-ethyl]ammonium CAS Name: 1-adamantyl-[2-[[3,5-bis(methoxycarbonyl)-4-methyl-2-thiophenyl]amino]-2-oxoethyl]ammonium IUPAC Name: 1-adamantyl-[2-[[3,5-bis(methoxycarbonyl)-4-methylthiophen-2-yl]amino]-2-oxoethyl]azanium Traditional Name: 1-adamantyl-[2-[(3,5-dicarbomethoxy-4-methyl-2-thienyl)amino]-2-keto-ethyl]ammonium Formula: C21H29N2O5S+ MolecularWeight: 421.53036

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=O)C[NH2+]C23CC4CC(C2)CC(C4)C3)C(=O)OC

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=O)C[NH2+]C23CC4CC(C2)CC(C4)C3)C(=O)OC

InChI

InChI=1S/C21H28N2O5S/c1-11-16(19(25)27-2)18(29-17(11)20(26)28-3)23-15(24)10-22-21-7-12-4-13(8-21)6-14(5-12)9-21/h12-14,22H,4-10H2,1-3H3,(H,23,24)/p+1