cyclopropyl-[2-[[(6R)-3-methoxycarbonyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino]-2-oxidanylidene-ethyl]-propan-2-yl-azanium

Systemtic Name: cyclopropyl-[2-[[(6R)-3-methoxycarbonyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino]-2-oxidanylidene-ethyl]-propan-2-yl-azanium Openeye Name: cyclopropyl-isopropyl-[2-[[(6R)-3-methoxycarbonyl-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]amino]-2-oxo-ethyl]ammonium CAS Name: cyclopropyl-[2-[[(6R)-3-methoxycarbonyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino]-2-oxoethyl]-propan-2-ylammonium IUPAC Name: cyclopropyl-[2-[[(6R)-3-methoxycarbonyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino]-2-oxoethyl]-propan-2-ylazanium Traditional Name: [2-[[(6R)-3-carbomethoxy-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]amino]-2-keto-ethyl]-cyclopropyl-isopropyl-ammonium Formula: C19H29N2O3S+ MolecularWeight: 365.51016

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC(=C2C(=O)OC)NC(=O)C[NH+](C3CC3)C(C)C

Isomeric SMILES

C[C@@H]1CCC2=C(C1)SC(=C2C(=O)OC)NC(=O)C[NH+](C3CC3)C(C)C

InChI

InChI=1S/C19H28N2O3S/c1-11(2)21(13-6-7-13)10-16(22)20-18-17(19(23)24-4)14-8-5-12(3)9-15(14)25-18/h11-13H,5-10H2,1-4H3,(H,20,22)/p+1/t12-/m1/s1