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

Systemtic Name: [2-[(3-aminocarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxidanylidene-ethyl]-(furan-2-ylmethyl)azanium Openeye Name: [2-[(3-carbamoyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)amino]-2-oxo-ethyl]-(2-furylmethyl)ammonium CAS Name: [2-[(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxoethyl]-(2-furanylmethyl)ammonium IUPAC Name: [2-[(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxoethyl]-(furan-2-ylmethyl)azanium Traditional Name: [2-[(3-carbamoyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)amino]-2-keto-ethyl]-(2-furfuryl)ammonium Formula: C16H20N3O3S+ MolecularWeight: 334.4133

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)NC(=O)C[NH2+]CC3=CC=CO3)C(=O)N

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)NC(=O)C[NH2+]CC3=CC=CO3)C(=O)N

InChI

InChI=1S/C16H19N3O3S/c17-15(21)14-11-5-1-2-6-12(11)23-16(14)19-13(20)9-18-8-10-4-3-7-22-10/h3-4,7,18H,1-2,5-6,8-9H2,(H2,17,21)(H,19,20)/p+1