(2R)-2-(1-adamantyl)-3-[(5-chloranyl-6-methyl-1,3-benzothiazol-2-yl)amino]-3-oxidanylidene-propanoate

Systemtic Name: (2R)-2-(1-adamantyl)-3-[(5-chloranyl-6-methyl-1,3-benzothiazol-2-yl)amino]-3-oxidanylidene-propanoate Openeye Name: (2R)-2-(1-adamantyl)-3-[(5-chloro-6-methyl-1,3-benzothiazol-2-yl)amino]-3-oxo-propanoate CAS Name: (2R)-2-(1-adamantyl)-3-[(5-chloro-6-methyl-1,3-benzothiazol-2-yl)amino]-3-oxopropanoate IUPAC Name: (2R)-2-(1-adamantyl)-3-[(5-chloro-6-methyl-1,3-benzothiazol-2-yl)amino]-3-oxopropanoate Traditional Name: (2R)-2-(1-adamantyl)-3-[(5-chloro-6-methyl-1,3-benzothiazol-2-yl)amino]-3-keto-propionate Formula: C21H22ClN2O3S- MolecularWeight: 417.92898

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1Cl)N=C(S2)NC(=O)C(C(=O)[O-])C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC1=CC2=C(C=C1Cl)N=C(S2)NC(=O)[C@H](C(=O)[O-])C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C21H23ClN2O3S/c1-10-2-16-15(6-14(10)22)23-20(28-16)24-18(25)17(19(26)27)21-7-11-3-12(8-21)5-13(4-11)9-21/h2,6,11-13,17H,3-5,7-9H2,1H3,(H,26,27)(H,23,24,25)/p-1/t11?,12?,13?,17-,21?/m1/s1