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

Systemtic Name: ethyl-[2-oxidanylidene-2-[(3-propan-2-yloxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]ethyl]azanium Openeye Name: ethyl-[2-[(3-isopropoxycarbonyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)amino]-2-oxo-ethyl]ammonium CAS Name: ethyl-[2-oxo-2-[[3-[oxo(propan-2-yloxy)methyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino]ethyl]ammonium IUPAC Name: ethyl-[2-oxo-2-[(3-propan-2-yloxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]ethyl]azanium Traditional Name: ethyl-[2-[(3-isopropoxycarbonyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)amino]-2-keto-ethyl]ammonium Formula: C16H25N2O3S+ MolecularWeight: 325.4463

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH2+]CC(=O)NC1=C(C2=C(S1)CCCC2)C(=O)OC(C)C

Isomeric SMILES

CC[NH2+]CC(=O)NC1=C(C2=C(S1)CCCC2)C(=O)OC(C)C

InChI

InChI=1S/C16H24N2O3S/c1-4-17-9-13(19)18-15-14(16(20)21-10(2)3)11-7-5-6-8-12(11)22-15/h10,17H,4-9H2,1-3H3,(H,18,19)/p+1