[2-[(3-ethoxycarbonyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-2-oxidanylidene-ethyl]-[(1R)-1-phenylethyl]azanium

Systemtic Name: [2-[(3-ethoxycarbonyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-2-oxidanylidene-ethyl]-[(1R)-1-phenylethyl]azanium Openeye Name: [2-[(3-ethoxycarbonyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-2-oxo-ethyl]-[(1R)-1-phenylethyl]ammonium CAS Name: [2-[(3-ethoxycarbonyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-2-oxoethyl]-[(1R)-1-phenylethyl]ammonium IUPAC Name: [2-[(3-ethoxycarbonyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-2-oxoethyl]-[(1R)-1-phenylethyl]azanium Traditional Name: [2-[(3-carbethoxy-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-2-keto-ethyl]-[(1R)-1-phenylethyl]ammonium Formula: C22H29N2O3S+ MolecularWeight: 401.54226

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCCCC2)NC(=O)C[NH2+]C(C)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCCC2)NC(=O)C[NH2+][C@H](C)C3=CC=CC=C3

InChI

InChI=1S/C22H28N2O3S/c1-3-27-22(26)20-17-12-8-5-9-13-18(17)28-21(20)24-19(25)14-23-15(2)16-10-6-4-7-11-16/h4,6-7,10-11,15,23H,3,5,8-9,12-14H2,1-2H3,(H,24,25)/p+1/t15-/m1/s1