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

Systemtic Name: tert-butyl-[2-[(3-methoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxidanylidene-ethyl]azanium Openeye Name: tert-butyl-[2-[(3-methoxycarbonyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)amino]-2-oxo-ethyl]ammonium CAS Name: tert-butyl-[2-[(3-methoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxoethyl]ammonium IUPAC Name: tert-butyl-[2-[(3-methoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxoethyl]azanium Traditional Name: tert-butyl-[2-[(3-carbomethoxy-4,5,6,7-tetrahydrobenzothiophen-2-yl)amino]-2-keto-ethyl]ammonium Formula: C16H25N2O3S+ MolecularWeight: 325.4463

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H24N2O3S/c1-16(2,3)17-9-12(19)18-14-13(15(20)21-4)10-7-5-6-8-11(10)22-14/h17H,5-9H2,1-4H3,(H,18,19)/p+1