[2-[[5-aminocarbonyl-3-(2-methoxyethoxycarbonyl)-4-methyl-thiophen-2-yl]amino]-2-oxidanylidene-ethyl]-(phenylmethyl)-propan-2-yl-azanium

Systemtic Name: [2-[[5-aminocarbonyl-3-(2-methoxyethoxycarbonyl)-4-methyl-thiophen-2-yl]amino]-2-oxidanylidene-ethyl]-(phenylmethyl)-propan-2-yl-azanium Openeye Name: benzyl-[2-[[5-carbamoyl-3-(2-methoxyethoxycarbonyl)-4-methyl-2-thienyl]amino]-2-oxo-ethyl]-isopropyl-ammonium CAS Name: [2-[[5-carbamoyl-3-[2-methoxyethoxy(oxo)methyl]-4-methyl-2-thiophenyl]amino]-2-oxoethyl]-(phenylmethyl)-propan-2-ylammonium IUPAC Name: benzyl-[2-[[5-carbamoyl-3-(2-methoxyethoxycarbonyl)-4-methylthiophen-2-yl]amino]-2-oxoethyl]-propan-2-ylazanium Traditional Name: benzyl-[2-[[5-carbamoyl-3-(2-methoxyethoxycarbonyl)-4-methyl-2-thienyl]amino]-2-keto-ethyl]-isopropyl-ammonium Formula: C22H30N3O5S+ MolecularWeight: 448.5557

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OCCOC)NC(=O)C[NH+](CC2=CC=CC=C2)C(C)C)C(=O)N

Isomeric SMILES

CC1=C(SC(=C1C(=O)OCCOC)NC(=O)C[NH+](CC2=CC=CC=C2)C(C)C)C(=O)N

InChI

InChI=1S/C22H29N3O5S/c1-14(2)25(12-16-8-6-5-7-9-16)13-17(26)24-21-18(22(28)30-11-10-29-4)15(3)19(31-21)20(23)27/h5-9,14H,10-13H2,1-4H3,(H2,23,27)(H,24,26)/p+1