dimethyl 2-[4-[[4-(4-carbamimidoylphenyl)-1,3-thiazol-2-yl]amino]piperidin-1-yl]butanedioate

Systemtic Name: dimethyl 2-[4-[[4-(4-carbamimidoylphenyl)-1,3-thiazol-2-yl]amino]piperidin-1-yl]butanedioate Openeye Name: dimethyl 2-[4-[[4-(4-carbamimidoylphenyl)thiazol-2-yl]amino]-1-piperidyl]butanedioate CAS Name: 2-[4-[[4-(4-carbamimidoylphenyl)-2-thiazolyl]amino]-1-piperidinyl]butanedioic acid dimethyl ester IUPAC Name: dimethyl 2-[4-[[4-(4-carbamimidoylphenyl)-1,3-thiazol-2-yl]amino]piperidin-1-yl]butanedioate Traditional Name: 2-[4-[[4-(4-amidinophenyl)thiazol-2-yl]amino]piperidino]succinic acid dimethyl ester Formula: C21H27N5O4S MolecularWeight: 445.53518

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC(C(=O)OC)N1CCC(CC1)NC2=NC(=CS2)C3=CC=C(C=C3)C(=N)N

Isomeric SMILES

COC(=O)CC(C(=O)OC)N1CCC(CC1)NC2=NC(=CS2)C3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C21H27N5O4S/c1-29-18(27)11-17(20(28)30-2)26-9-7-15(8-10-26)24-21-25-16(12-31-21)13-3-5-14(6-4-13)19(22)23/h3-6,12,15,17H,7-11H2,1-2H3,(H3,22,23)(H,24,25)